CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

CFam Family Information

CFAM Family ID CFFID1480
Family Name Cathepsin B and Cathepsin L1 Inhibitor MDL-2170 Family
No. of Seeds 17 No. of Other Members 24
Family Centroid CFAMM00240010 Functional Category Investigative Drug with Natural Product
Superfamily Cathepsin B and Cathepsin L1 Binder Superfamily
Class Class 610

Cousin Family NamesSeedsMembers
Sodium-dependent dopamine transporter inhibitor substituted ph... 22 416
Vasopressin V1a receptor Ligand Felypressin Family 12 820
Penicillin binding protein inhibitor β-lactam aminopenicillin ... 12 359
Sodium channel protein type 5 subunit alpha Ligand Hexylcaine ... 4 94
Alpha-1B adrenergic receptor Ligand Lisdexamfetamine Family 14 443
Angiotensin-converting enzyme inhibitor Dicarboxylate-containi... 16 374
Angiotensin-converting enzyme Inhibitor Benazepril Family 7 123
Angiotensin-converting enzyme Inhibitor Quinapril Family 3 105
Glycoprotein IIb/IIIa receptor Ligand Tirofiban Family 4 173
Angiotensin-converting enzyme Inhibitor Spirapril Family 17 86
Angiotensin-converting enzyme inhibitor Dicarboxylate-containi... 7 54
ATP-sensitive inward rectifier potassium channel 10 Ligand Nat... 3 233
Mu-type opioid receptor Ligand Alvimopan Family 32 325
Thymopentin family 20 133
Serine/threonine-protein kinase PLK1 Inhibitor On 019190.na Fa... 16 138
Growth hormone secretagogue receptor type 1 Ligand TZP-101 Family 28 263
Dopamine reuptake Inhibitor Amineptine Family 2 5
Ezatiostat family 1 4
Dipeptidyl peptidase 4 Inhibitor Denagliptin Family 24 151
Flovagatran family 12 546
A disintegrin and metalloproteinase with thrombospondin motifs... 7 119
Neuropeptide Y receptor type 1 Ligand Bibp 3226 Family 43 80
Cyclophilin receptor and Cyclosporine receptor Ligand D-43787 ... 2 13
Prothrombin Inhibitor Efegatran Family 9 47
Neprilysin Inhibitor Thiorphan Family 41 68
Vasopeptidase Inhibitor Sampatrilat Family 25 9
Voltage-dependent L-type calcium channel Ligand PD173212 Family 24 104
Cathepsin F and Cruzipain Inhibitor Benzoyl-arginine-alanine-m... 49 348
Cathepsin F and Cruzipain Inhibitor WRR-99 Family 13 131
Cruzipain Inhibitor WRR-204 Family 18 35
Cathepsin F Inhibitor Benzoyl-tyrosine-alanine-methyl Ketone F... 34 55
Beta-secretase 1 Inhibitor MMI-175 Family 30 137
72 kDa type IV collagenase and Matrix metalloproteinase-9 Inhi... 40 87
Plasmepsin-1 and Plasmepsin-2 Inhibitor PS-777621 Family 11 13
Disintegrin and metalloproteinase domain-containing protein 17... 8 7
Disintegrin and metalloproteinase domain-containing protein 17... 25 36
Integrin beta-3 Inhibitor RWJ-53419 Family 6 65
Cathepsin B and Cathepsin K Inhibitor Z-ala-leu-tyr(me)-agly-i... 2 1
Cathepsin B and Cathepsin K Inhibitor Z-ala-leu-lle-agly-ile-v... 17 7
Cathepsin B and Cathepsin K Inhibitor Z-ala-leu-nal-agly-ile-v... 3 2
Plasmepsin-1 Inhibitor SC-5003 Family 93 173
Neuromedin-K receptor Ligand PD-160946 Family 10 32
Neuromedin-K receptor Ligand PD-157672 Family 9 37
Beta-secretase 1 Inhibitor Glu-leu-asp-leu-(choh-ch2)-ala-ala-... 15 11
Cannabinoid receptor 1 Ligand N-(4-methoxyphenethyl)oleamide F... 10 36
Caspase-1 Inhibitor Z-vad-cho Family 8 34
Cathepsin B and Cathepsin K Inhibitor (s)-1-benzylcyclopentyl ... 11 5
72 kDa type IV collagenase and Matrix metalloproteinase-9 Inhi... 9 12
Cathepsin B and Cathepsin S Inhibitor Cbz-ile-leu-ala-leuvsme ... 12 14
Cathepsin B and Cathepsin S Inhibitor Ac-hphe-leu-ala-leuvsme ... 17 51
Proto-oncogene tyrosine-protein kinase Src Inhibitor Ac-cys-il... 36 12
Oxytocin receptor Ligand [mpa1, D-tyr(et)2, D-tic7]ot Family 43 26
Delta-type opioid receptor and Kappa-type opioid receptor Liga... 6 24
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 14 110
Histone deacetylase 1 and Histone deacetylase 4 Inhibitor Azum... 3 10
Epidermal growth factor receptor Ligand (s)-benzyl 4-chloro-3-... 1 0
Caspase-4 and Cathepsin D Inhibitor Grassystatin A Family 24 6
Endothelin-converting enzyme 1 Inhibitor PO3 2-leu-nal-o-3k Fa... 3 26
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 49 19
Mu-type opioid receptor Ligand H-tyr-d-ala-aic-asp-val-val-gly... 48 8
Genome polyprotein Inhibitor Acdif-ile-cha-cys Family 37 96
Genome polyprotein Inhibitor Acasp-glu-cha-val-prb-cys Family 13 18
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 152 36
Glutamate receptor ionotropic, NMDA 2A and Glutamate receptor ... 1 24
Prolyl endopeptidase Inhibitor SUAM-1221 Family 42 47
Mu-type opioid receptor and Nociceptin receptor Ligand Nocicep... 35 5
Aminopeptidase N Inhibitor 2-cinnamamido-n4-hexyl-n1-hydroxysu... 24 8
Cholecystokinin receptor type A Ligand CR-1795 Family 19 41
Gamma-secretase subunit APH-1B and Presenilin-1 Inhibitor 3114... 8 9
Caspase-3 and Caspase-1 inhibitor (4S)-5-[[(2S)-1-[[(3S)-2-hyd... 1 2
Renin inhibitor benzyl N-[3-[[(2S,4S,5S)-6-cyclohexyl-4-hydrox... 2 0
Pol polyprotein inhibitor 180968-31-4 family 8 13
Pol polyprotein inhibitor benzyl N-[(2S,3R)-1-[[(2S,3R,4R)-4-(... 5 26
Cathepsin D and Beta-secretase 1 inhibitor tert-butyl N-[(2S)-... 1 0
Cathepsin K inhibitor (4-phenylphenyl) (3S)-3-[[(3S)-1,2-dioxo... 4 10
Cathepsin S inhibitor ethyl 2-[[3-[[(2S)-3-cyclohexyl-2-[(1-me... 3 8
Cathepsin S inhibitor ethyl 2-[[3-[[(2S)-3-cyclohexyl-2-[(2-th... 2 5
Cathepsin K inhibitor [(3S)-4,4-dimethyl-2-oxo-1-(2-phenylethy... 7 9
Neutrophil elastase inhibitor phenyl N-[(2S)-1-[(2S)-2-[[(3S)-... 10 4
Cathepsin S inhibitor SureCN6857538 family 2 12
Cathepsin S inhibitor ethyl 2-[[3-[[(2S)-3-cyclohexyl-2-[(4-me... 2 9
Prolyl endopeptidase and Chymotrypsin-like elastase family mem... 3 9
Pol polyprotein inhibitor benzyl N-[(2S)-1-[[(2S,3S,4R,5S)-3,4... 21 5
Neutrophil elastase inhibitor benzyl N-[2-(4-aminophenyl)-6-ox... 4 23
Neprilysin and Angiotensin-converting enzyme inhibitor AGN-PC-... 2 2
Neutrophil elastase inhibitor SureCN7276766 family 3 6
Neutrophil elastase inhibitor SureCN7276506 family 2 7
Neutrophil elastase and Chymotrypsin-C inhibitor benzyl N-[6-(... 3 6
Cathepsin K and Cathepsin L1 inhibitor benzyl N-[(2S)-1-oxo-3-... 1 0
Pol polyprotein inhibitor (2S)-4-benzyl-1-[(2S,4R)-4-benzyl-2-... 10 4
Neprilysin and Aminopeptidase N inhibitor (2S)-2-[[(2S)-2-[[[a... 13 1
Carboxypeptidase B and Carboxypeptidase B2 inhibitor (2S)-7-am... 3 9
Cathepsin L1 and Cathepsin K inhibitor benzyl N-[(2S)-3-(3-flu... 2 3
Neprilysin and Aminopeptidase N inhibitor benzyl 2-[[(2S)-2-[[... 1 1
Angiotensin-converting enzyme inhibitor (2R)-1-[4-carboxy-4-(p... 3 3
Cathepsin K inhibitor [1-(3-methoxyphenyl)-2-methylpropan-2-yl... 2 10
Neprilysin and Angiotensin-converting enzyme inhibitor AGN-PC-... 3 7
Growth hormone secretagogue receptor type 1 ligand SureCN63170... 1 1
Caspase-1 inhibitor (3S)-5-(3,3-diphenylpropanoyloxy)-3-[[(2S)... 3 6
Caspase-1 inhibitor (3S)-5-[[(3aS,7aS)-2-oxo-3a,4,5,6,7,7a-hex... 3 0
Peptidyl-prolyl cis-trans isomerase FKBP1A and Peptidyl-prolyl... 4 27
Corticosteroid 11-beta-dehydrogenase isozyme 1 inhibitor SureC... 1 0
Cathepsin B and Calpain-1 catalytic subunit inhibitor AGN-PC-0... 2 0
Calpain-1 catalytic subunit and Cathepsin B inhibitor AGN-PC-0... 6 1
Calpain-2 catalytic subunit and Calpain-1 catalytic subunit in... 6 1
Cathepsin B and Calpain-2 catalytic subunit inhibitor AGN-PC-0... 2 2
Cathepsin B and Calpain-1 catalytic subunit inhibitor AGN-PC-0... 3 1
Cathepsin B and Cathepsin L1 inhibitor 3-[[(2R)-2-cyano-2-[[(2... 3 4
Pol polyprotein inhibitor Lysine Sulfonamide 11c family 3 73
Pol polyprotein inhibitor AC1LA6RA family 4 12
Disintegrin and metalloproteinase domain-containing protein 17... 2 1
Neprilysin inhibitor SureCN489232 family 3 9
Cathepsin S inhibitor SureCN7397817 family 9 4
Integrin beta-3 and Integrin alpha-IIb inhibitor (3R)-5-phenyl... 4 1
Pol polyprotein inhibitor benzyl N-[(2S,3R)-4-[(3aR,6S,7aS)-6-... 3 2
Prolyl endopeptidase inhibitor benzyl (1R,2S)-2-[(2S)-2-formyl... 2 2
Cathepsin K inhibitor [(3R)-4,4-dimethyl-1-phenylpentan-3-yl] ... 7 7
Neutrophil elastase inhibitor benzyl N-[(2S)-1-[(2S)-2-[[(3S)-... 4 0
Cathepsin L1 and Cathepsin K inhibitor benzyl N-[(2S)-4-methyl... 8 22
Chymase and Chymotrypsinogen A inhibitor tert-butyl N-[(2S)-1-... 2 7
Renin and Cathepsin D inhibitor tert-butyl N-[(2S)-1-[[(2S)-1-... 3 4
Neutrophil elastase inhibitor benzyl N-[(2S)-3-methyl-1-[(2S)-... 2 0
Pol polyprotein inhibitor AC1LADQG family 7 1
Pol polyprotein inhibitor methyl (2S)-2-[[(2S,3R)-2-[[1-[(2R,3... 1 0
Histone deacetylase and Histone deacetylase 3 inhibitor (3S,6S... 1 0
Melanin-concentrating hormone receptor 1 ligand SureCN7463098 ... 1 0
Caspase-8 and Caspase-9 inhibitor 3-[[(2S)-2-[(2,4-dichlorophe... 1 0
Pol polyprotein inhibitor MDL 74538 family 11 1
Baculoviral IAP repeat-containing protein 2 and E3 ubiquitin-p... 1 4
Caspase-1 and Caspase-8 inhibitor benzyl (4S,7S,9Z,11aS)-7-ben... 2 0
Melanin-concentrating hormone receptor 1 and Alpha-1A adrenerg... 4 6
Growth hormone-releasing hormone receptor ligand ethyl (1S)-1'... 4 7
Pol polyprotein inhibitor benzyl N-[(2S)-4-amino-1-[[(2S,3R)-4... 2 1
B1 bradykinin receptor ligand methyl 2-fluoro-6-[3-fluoro-4-[(... 18 17
Cathepsin S inhibitor (2R)-N-[(1R)-2-[(4-chlorophenyl)methoxy]... 2 0
Proteasome subunit beta type-5 and Proteasome subunit beta typ... 1 0
Neutrophil elastase inhibitor 1-O-benzyl 4-O-ethyl (3aS,6R,6aR... 3 4
Caspase-9 and Caspase-8 inhibitor 4-fluoro-2-[[2-[[(2S)-3-meth... 1 11
Renin inhibitor AGN-PC-076HPD family 1 0
Cysteine protease and Cruzipain inhibitor ethyl (2S,3R)-3-[(2S... 1 1
Angiotensin-converting enzyme 2 and Neprilysin inhibitor (2S)-... 6 1
Calpain-2 catalytic subunit and Calpain-1 catalytic subunit in... 1 0
Integrin beta-1 and Integrin alpha-4 inhibitor (2R)-3-[4-(2-me... 18 1
Neutrophil elastase inhibitor SureCN7273831 family 2 2
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-3-[4-(2-me... 4 0
Neprilysin inhibitor benzyl (2S)-2-[[2-(sulfanylmethyl)-3,4-di... 4 0
Neprilysin inhibitor benzyl (2S)-3-(4-hydroxyphenyl)-2-[[2-(su... 1 1
Neprilysin inhibitor SureCN7437961 family 2 6
Protease inhibitor AC1O54RX family 2 4
Cathepsin S and Cathepsin L1 inhibitor benzyl N-[(2S)-1-oxo-1-... 2 2
Renin inhibitor tert-butyl N-[1-[[1-[[(2S,3R)-1-cyclohexyl-3-h... 2 0
Tryptase alpha/beta-1 and Tryptase delta inhibitor [4-[[2-[[4-... 2 1
Pol polyprotein inhibitor AC1LA3C0 family 2 18
Neutrophil collagenase and Matrix metalloproteinase-9 inhibito... 1 0
Neprilysin and Angiotensin-converting enzyme inhibitor (2S)-2-... 1 0
Pol polyprotein inhibitor benzyl N-[(2R)-1-[[(1S)-1-[(2R,3S)-3... 3 1
Chymase and Chymotrypsinogen B inhibitor AGN-PC-075LTI family 2 3
Cathepsin B and Cathepsin L1 inhibitor SureCN14345745 family 2 0
Histone deacetylase 1 and Histone deacetylase 8 inhibitor meth... 1 3
Vasopressin V1a receptor ligand benzyl 4,4-dimethyl-3-oxo-2-[(... 2 5
Neutrophil elastase inhibitor 4-[(E)-3-[[(2S)-3-methyl-1-oxo-1... 2 6
Carbonic anhydrase 2 inhibitor benzyl 2-[[2-[[(2S)-3-phenyl-2-... 2 9
C-C chemokine receptor type 5 ligand benzyl N-[1-[(4S)-4-(cycl... 1 0
Melanin-concentrating hormone receptor 1 ligand 2-(3,4-difluor... 4 0
Substance-P receptor and Voltage-dependent L-type calcium chan... 1 0
Angiotensin-converting enzyme and Neprilysin inhibitor (2S)-2-... 1 0
Legumain-like protease inhibitor tert-butyl 4-[[(2R)-1-[[(2S)-... 2 1
Calpain-1 catalytic subunit and Cathepsin B inhibitor (2R)-N-[... 2 2
Solute carrier family 12 member 5 inhibitor AGN-PC-07ZCLM family 1 12
Tissue alpha-L-fucosidase inhibitor AGN-PC-074YKC family 1 0
Cathepsin B inhibitor AC1LD7MA family 1 0
Beta-lactamase inhibitor SureCN7195773 family 1 0
Integrin beta-3 and Integrin alpha-V inhibitor (2S)-3-[3-[3-[3... 5 9
Urokinase-type plasminogen activator and Plasminogen inhibitor... 2 1
Gamma-secretase subunit PEN-2 inhibitor SureCN5966881 family 1 9
Substance-P receptor ligand (3,5-dimethylphenyl)methyl (2S)-2-... 1 2
Disintegrin and metalloproteinase domain-containing protein 10... 1 0
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 2 inhibitor (3... 1 0
Cathepsin K inhibitor benzyl N-[(2S)-4-methyl-1-oxo-1-[2-[[(4-... 2 0
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 8 inhibitor 1-... 1 0
Neuronal acetylcholine receptor subunit alpha-4 and Neuronal a... 1 5
Cathepsin B and Cathepsin L1 inhibitor benzyl (2S)-2-benzyl-3-... 1 0
Cysteine protease inhibitor ethyl (E,4S)-4-[[(2S)-2-[(2-methyl... 2 0
Furin inhibitor benzyl N-[(5S)-6-[[(2S)-1-[[(2S)-1-[(4-carbami... 1 0
Neprilysin and Endothelin-converting enzyme 1 inhibitor 2-[[2-... 1 0
Integrin beta-3 and Integrin alpha-V inhibitor (2S)-2-[(4-meth... 2 1
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[[(2S)-1... 1 0
Angiotensin-converting enzyme and Angiotensin-converting enzym... 1 0
72 kDa type IV collagenase and Stromelysin-1 inhibitor (2S,4R)... 1 1
(4R,5S)-4-methyl-5-phenyl-1,3-oxazolidin-2-one NP (4r,5s)-4-me... 1 4
pyrrolidine-1,2-dicarboxylate NP ZINC04028685 Family 2 3
NP (3r,7r,8as)-3-benzyl-1,4-dioxooctahydropyrrolo[1,2-a]pyrazi... 2 3
4-[[[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pheny... 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00239995 CHEMBL115394 Bioactive AGN-PC-074Z6W
CFAMM00240009 CHEMBL95003 Bioactive AC1LALOZ
CFAMM00240016 CHEMBL594719 Bioactive benzyl N-[(2S)-1-[[cyano(pentyl)amino]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CFAMM00239994 CHEMBL604079 Bioactive benzyl N-[(2S)-1-[[cyano(2-phenylethyl)amino]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CFAMM00239986 CHEMBL604281 Bioactive benzyl N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CFAMM00240015 CHEMBL114869 Bioactive benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-4-(dimethylamino)-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CFAMM00239992 CHEMBL419332 Bioactive AC1LALPW
CFAMM00239998 CHEMBL133749 Bioactive AGN-PC-075L9U
CFAMM00239991 CHEMBL95007 Bioactive AC1L9VTL
CFAMM00239997 CHEMBL89668 Bioactive benzyl N-[(2S)-1-[[(2S)-4-(methoxyamino)-3,4-dioxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CFAMM00240004 CHEMBL1651352 Bioactive benzyl N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate
CFAMM00239981 CHEMBL122591 Bioactive benzyl N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]carbamate
CFAMM00239982 DNC014688 Investigative Drug (1-Benzyl-2-oxo-ethyl)-carbamic acid benzyl ester
CFAMM00240010 DNC004595 Investigative Drug MDL-2170

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

27432 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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