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 CFFBM2871
Family Name Calpain-1 catalytic subunit and Cathepsin B inhibitor AGN-PC-075LA3 family
No. of Seeds 6 No. of Other Members 1
Family Centroid CFAMM00338787 Functional Category Bioactive
Superfamily Calpain-1 catalytic subunit and Pol polyprotein Binder Superfamily
Class Class 609

Cousin Family NamesSeedsMembers
Vasopressin V2 receptor ligand peptide analog Desmopressin family 111 1472
Serotonin re-uptake Inhibitor Fluoxetine Family 18 682
Oxytocin receptor Ligand Oxytocin Family 30 182
Beta adrenergic receptor Ligand Levobunolol Family 6 133
Beta-1 adrenergic receptor Ligand Esmolol Family 5 39
Beta-1 adrenergic receptor Ligand Metoprolol Family 29 90
Sodium channel protein type 5 subunit alpha Ligand Flecainide ... 2 162
Glucan synthesis regulatory protein Inhibitor Anidulafungin Fa... 2 5
Glucan synthesis regulatory protein Inhibitor Caspofungin Family 17 71
Glycoprotein IIb/IIIa receptor Ligand Tirofiban Family 4 173
HIV-1 protease Inhibitor Lopinavir Family 4 25
Growth hormone-releasing hormone receptor ligand polypeptide ... 14 34
Mu-type opioid receptor Ligand Alvimopan Family 32 325
Renin Inhibitor Aliskiren Family 28 107
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
Endothelin-1 receptor Ligand Atrasentan Family 127 336
C-C chemokine receptor type 5 Ligand GW873140 Family 6 78
Sodium- and chloride-dependent glycine transporter 1 Inhibitor... 6 33
Beta-3 adrenergic receptor Ligand Amibegron Family 8 46
Plitidepsin family 15 5
A disintegrin and metalloproteinase with thrombospondin motifs... 7 119
Neuropeptide Y receptor type 1 Ligand Bibp 3226 Family 43 80
C-C chemokine receptor type 5 Ligand E-913 Family 6 44
Plasmepsin-2 Inhibitor KNI-727 Family 3 37
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 Inhibitor Benzoyl-tyrosine-alanine-methyl Ketone F... 34 55
Integrin beta-3 Inhibitor FK-633 Family 2 12
Voltage-dependent N-type calcium channel subunit alpha-1B Liga... 2 2
Plasmepsin-1 and Plasmepsin-2 Inhibitor PS-777621 Family 11 13
Plasmepsin-2 Inhibitor PS-662477 Family 7 55
Disintegrin and metalloproteinase domain-containing protein 17... 25 36
Integrin beta-3 Inhibitor RWJ-53419 Family 6 65
Proto-oncogene tyrosine-protein kinase Src Inhibitor Y-c[d-pen... 20 66
Cathepsin B and Cathepsin K Inhibitor Z-ala-leu-tyr(me)-agly-i... 2 1
Plasmepsin-1 Inhibitor SC-5003 Family 93 173
Neuromedin-K receptor Ligand PD-160946 Family 10 32
Cathepsin B and Cathepsin L1 Inhibitor MDL-2170 Family 17 24
Histamine H3 receptor Ligand A-349821 Family 49 228
Cannabinoid receptor 1 Ligand N-(4-methoxyphenethyl)oleamide F... 10 36
Caspase-1 Inhibitor Z-vad-cho Family 8 34
72 kDa type IV collagenase and Matrix metalloproteinase-9 Inhi... 9 12
Proto-oncogene tyrosine-protein kinase Src Inhibitor Ac-cys-il... 36 12
Mu-type opioid receptor and Nociceptin receptor Ligand Ac-ryyr... 60 11
Voltage-dependent T-type calcium channel subunit alpha-1H Liga... 5 26
Oxytocin receptor Ligand [mpa1, D-tyr(et)2, D-tic7]ot Family 43 26
Prothrombin Inhibitor Cyclotheonamide E5 Family 3 0
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
Potassium voltage-gated channel subfamily KQT member 1 Ligand ... 5 17
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 12 8
Genome polyprotein Inhibitor Acasp-glu-cha-val-prb-cys Family 13 18
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 152 36
Sodium-dependent dopamine transporter Inhibitor Bip-tyr-thr-pr... 8 2
Gamma-secretase subunit APH-1B and Presenilin-1 Inhibitor 3114... 8 9
Vasopressin V1a receptor Ligand Vasopressin Analogue Family 4 3
Calpain-2 catalytic subunit and Calpain-1 catalytic subunit in... 5 2
Pol polyprotein inhibitor tert-butyl N-[(2S,3S,5R)-5-benzyl-3-... 2 3
Pol polyprotein inhibitor tert-butyl N-[(2S,3S,5R)-3-hydroxy-6... 11 8
Pol polyprotein inhibitor 180968-31-4 family 8 13
Matrilysin and 72 kDa type IV collagenase inhibitor (3S,6R,7S)... 2 2
Prostaglandin E2 receptor EP3 subtype and Prostaglandin E2 rec... 55 36
Histamine H3 receptor ligand SureCN4319687 family 8 15
Pol polyprotein inhibitor benzyl N-[(2S)-1-[[(2S,3S,4R,5S)-3,4... 21 5
Endothelin-1 receptor and Endothelin B receptor ligand (2R,3R,... 5 4
72 kDa type IV collagenase and Matrix metalloproteinase-9 inhi... 3 4
Growth hormone secretagogue receptor type 1 ligand 2-amino-2-m... 1 0
Cathepsin K inhibitor [1-(3-methoxyphenyl)-2-methylpropan-2-yl... 2 10
Neprilysin and Angiotensin-converting enzyme inhibitor AGN-PC-... 3 7
Glutamate receptor ionotropic, kainate 2 ligand (2S,3S,4S)-4-[... 4 10
E3 ubiquitin-protein ligase XIAP inhibitor N-METHYLALANYL-3-ME... 3 14
Pol polyprotein inhibitor MK-944a family 6 1
Serine palmitoyltransferase 1 and Serine palmitoyltransferase ... 2 1
Calpain-2 catalytic subunit and Calpain-1 catalytic subunit in... 6 1
Disintegrin and metalloproteinase domain-containing protein 17... 2 0
Matrix metalloproteinase-9 and Interstitial collagenase inhibi... 2 13
Neprilysin inhibitor SureCN389939 family 5 6
Pol polyprotein inhibitor AC1NQUJL family 10 11
Tyrosine--tRNA ligase, cytoplasmic inhibitor (2S)-2-[[(2S)-2-a... 5 2
Pol polyprotein inhibitor CHEMBL305466 family 4 7
Dipeptidyl peptidase 4 and Seprase inhibitor (2R)-2-[4-[[[(2S)... 17 19
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[(1-ethy... 7 1
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[[(4S)-3... 3 24
Angiotensin-converting enzyme and Angiotensin-converting enzym... 3 13
Growth hormone secretagogue receptor type 1 ligand tert-butyl ... 5 4
Pol polyprotein inhibitor AC1LADQG family 7 1
Histone deacetylase and Histone deacetylase 3 inhibitor (3S,6S... 1 0
Growth hormone secretagogue receptor type 1 ligand 2-(2-acetyl... 2 0
Pol polyprotein inhibitor (2R)-2-benzyl-5-[(3S,5R)-3-benzyl-5-... 11 5
Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-... 6 3
Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-... 4 6
Pol polyprotein inhibitor MDL 74538 family 11 1
Kappa-type opioid receptor and Cytochrome P450 2D6 ligand Sure... 4 0
NS3 inhibitor Proline-Based Macrocycle 24 family 6 6
NS3 inhibitor CHEMBL201121 family 1 4
Beta-1 adrenergic receptor ligand N-[2-[[(2S)-3-(2-cyanophenox... 1 0
Histamine H3 receptor and Cytochrome P450 2D6 ligand ethyl 4-[... 5 5
Pol polyprotein inhibitor L-689,502 family 17 2
Angiotensin-converting enzyme and Neprilysin inhibitor (2S,5R)... 15 3
Beta-secretase 1 and Cathepsin D inhibitor N-[(2S,3R)-1-(3,5-d... 10 15
Baculoviral IAP repeat-containing protein 3 and E3 ubiquitin-p... 7 1
Beta-secretase 1 and Cathepsin B inhibitor N-[(2S)-1-[[(2S,3R)... 2 1
Motilin receptor ligand SureCN74051 family 1 0
Vasopressin V1a receptor and Vasopressin V1b receptor ligand C... 6 0
Integrin beta-3 and Integrin alpha-IIb inhibitor (2S)-5-(diami... 2 0
Cannabinoid receptor 1 and Cannabinoid receptor 2 ligand (5Z,8... 4 2
Angiotensin-converting enzyme 2 and Neprilysin inhibitor (2S)-... 6 1
Renin inhibitor (3S,6R)-6-(cyclohexylmethyl)-7-hydroxy-7-[[(2S... 1 0
Pol polyprotein inhibitor SDZ PRI 053 family 8 1
Beta-secretase 1 and Cathepsin E inhibitor 1-N-[(1R,2S)-3-(3,5... 3 8
Neprilysin and Angiotensin-converting enzyme inhibitor (2S)-2-... 1 3
Renin and Cathepsin D inhibitor (4S)-5-cyclohexyl-2,2-difluoro... 2 0
C-C chemokine receptor type 1 ligand SureCN8184421 family 11 10
Integrin beta-1 and Integrin alpha-4 inhibitor (2R)-3-[4-(2-me... 18 1
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-3-[4-(2-me... 4 0
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[[(2S)-1... 3 1
Pol polyprotein inhibitor N-[2-Hydroxy-2-(8-Isopropyl-6,9-Diox... 7 6
Integrin beta-1 and Integrin alpha-4 inhibitor SureCN6429531 f... 2 0
72 kDa type IV collagenase and Collagenase 3 inhibitor SureCN7... 5 2
Neprilysin inhibitor benzyl (2S)-3-(4-hydroxyphenyl)-2-[[2-(su... 1 1
Pol polyprotein inhibitor AC1NS2O6 family 3 0
Follicle-stimulating hormone receptor ligand SureCN6140614 family 2 8
Tryptase alpha/beta-1 and Tryptase delta inhibitor (2S,3R)-4-o... 4 5
Cathepsin S and Cathepsin L1 inhibitor benzyl N-[(2S)-1-oxo-1-... 2 2
Pol polyprotein inhibitor (3S)-N-tert-butyl-2-[(2R)-2-[(3S,6S,... 3 1
Pol polyprotein inhibitor AC1LALH8 family 2 1
Stromelysin-1 and Interstitial collagenase inhibitor (2R)-2-[4... 4 1
Neprilysin and Angiotensin-converting enzyme inhibitor (2S)-2-... 1 0
Neprilysin inhibitor (2S)-4-methoxy-2-[[1-[[(1R,2S)-2-(4-metho... 1 0
NS3 and Non-structural protein 4A inhibitor (4S)-4-[[(2S)-3-ca... 1 0
Renin inhibitor ethyl N-[1-[[1-[[(2S,3R,4S)-1-cyclohexyl-3,4-d... 2 0
Scytalone dehydratase inhibitor 2-cyano-N-[(1S,2R)-1-(2-cyanop... 5 0
Beta-secretase 1 inhibitor 1-N-[(2S,3R)-1-(3,5-difluorophenyl)... 8 7
Renin inhibitor (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-... 2 0
Mu-type opioid receptor and Delta-type opioid receptor ligand ... 1 2
Renin inhibitor methyl N-[[5-[[(2S,3S,5R)-2-amino-6-(butylamin... 1 0
72 kDa type IV collagenase and Interstitial collagenase inhibi... 2 0
Caspase-1 inhibitor 3-[[(2S)-4-hydroxy-1-[(2S)-3-methyl-2-[[(E... 1 0
Stromelysin-1 inhibitor (2R)-2-[[(2S)-1-[(6S)-6-(methylcarbamo... 1 1
Caspase-1 inhibitor 3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethox... 1 3
Signal transducer and activator of transcription 3 inhibitor [... 3 1
Pol polyprotein inhibitor AC1MHYEO family 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00338782 CHEMBL133936 Bioactive AGN-PC-075LAB
CFAMM00338787 CHEMBL131002 Bioactive AGN-PC-075LA3
CFAMM00338786 CHEMBL1790237 Bioactive oxolan-3-yl N-[(2S,3R)-4-[[(3S,6S)-6-[(2R)-butan-2-yl]-4,7-dioxo-12-oxa-5,8-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-3-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
CFAMM00338785 CHEMBL337830 Bioactive AGN-PC-075LAA
CFAMM00338784 CHEMBL133521 Bioactive AGN-PC-075LAZ
CFAMM00338783 CHEMBL1794024 Bioactive tert-butyl N-[(3R)-5-amino-5-[(3R,6S)-6-[(2S)-butan-2-yl]-4,7-dioxo-12-oxa-5,8-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-3-yl]-3-hydroxy-1-phenylpentan-2-yl]carbamate

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
 

 

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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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