CFam Chemical Families Database
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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 CFFID1677
Family Name Beta-secretase 1 Inhibitor Glu-leu-asp-leu-(choh-ch2)-ala-ala-glu-phe Family
No. of Seeds 15 No. of Other Members 11
Family Centroid CFAMM00245969 Functional Category Investigative Drug
Superfamily Beta-secretase 1 and Caspase-4 Binder Superfamily
Class Class 608

Cousin Family NamesSeedsMembers
Vasopressin V1a receptor Ligand Felypressin Family 12 820
Oxytocin receptor Ligand Oxytocin Family 30 182
Penicillin binding protein inhibitor β-lactam aminopenicillin ... 12 359
Glucan synthesis regulatory protein Inhibitor Caspofungin Family 17 71
Alpha-1B adrenergic receptor Ligand Lisdexamfetamine Family 14 443
Angiotensin-converting enzyme inhibitor Dicarboxylate-containi... 16 374
Angiotensin-converting enzyme Inhibitor Quinapril Family 3 105
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
Growth hormone-releasing hormone receptor ligand polypeptide ... 14 34
Atrial natriuretic peptide receptor 1 Ligand Nesiritide Family 6 111
Bacterial outer membrane Inhibitor Polymyxin B Family 17 181
20S proteasome Inhibitor Carfilzomib Family 5 17
Thymopentin family 20 133
Puromycin-sensitive aminopeptidase Inhibitor CHR-2797 Family 1 2
Angiotensin-converting enzyme and Neprilysin Inhibitor M100,24... 18 60
Dopamine reuptake Inhibitor Amineptine Family 2 5
Thymosin Beta-4 family 8 30
Plitidepsin family 15 5
Iofolastat I-124 family 6 33
Melanocortin receptor 4 Ligand Ro-27-3225 Family 6 52
Histone deacetylase 1 Inhibitor Chlamydocin Family 2 1
Dipeptidyl peptidase 4 Inhibitor Denagliptin Family 24 151
Flovagatran family 12 546
Integrin alpha-V and Integrin beta-3 Inhibitor C[rgd-(s)-alpha... 19 95
Renin Inhibitor CP-80794 Family 16 112
Prothrombin Inhibitor Efegatran Family 9 47
Neprilysin Inhibitor Thiorphan Family 41 68
Neuromedin-K receptor Ligand Senktide Family 15 22
cGMP-specific 3',5'-cyclic phosphodiesterase Inhibitor Gamma-g... 2 1
Cathepsin F and Cruzipain Inhibitor WRR-99 Family 13 131
Cathepsin F Inhibitor Benzoyl-tyrosine-alanine-methyl Ketone F... 34 55
Beta-secretase 1 Inhibitor MMI-175 Family 30 137
Integrin alpha-V and Integrin beta-3 Inhibitor Cyclo-[-arg-gly... 5 38
72 kDa type IV collagenase and Matrix metalloproteinase-9 Inhi... 40 87
Disintegrin and metalloproteinase domain-containing protein 17... 8 7
Plasmepsin-2 Inhibitor PS-222036 Family 12 134
Integrin beta-3 Inhibitor RWJ-53419 Family 6 65
Integrin beta-3 Inhibitor DMP-728 Family 3 0
Plasmepsin-1 Inhibitor SC-5003 Family 93 173
Neuromedin-K receptor Ligand PD-160946 Family 10 32
Nociceptin receptor Ligand Fggftgcrkscrk Family 10 0
Cathepsin B and Cathepsin L1 Inhibitor MDL-2170 Family 17 24
Neuromedin-K receptor Ligand PD-157672 Family 9 37
Calcitonin gene-related peptide type 1 receptor Ligand Fvptdvg... 8 8
Caspase-1 Inhibitor Z-vad-cho Family 8 34
Cathepsin B and Cathepsin S Inhibitor Ac-hphe-leu-ala-leuvsme ... 17 51
Mu-type opioid receptor and Nociceptin receptor Ligand Ac-ryyr... 60 11
Beta-secretase 1 Inhibitor KMI-172 Family 3 0
Delta-type opioid receptor and Kappa-type opioid receptor Liga... 6 24
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 14 110
Delta-type opioid receptor and Kappa-type opioid receptor Liga... 3 21
Delta-type opioid receptor Ligand H-cxp-ala-gly-phe-leu-oh Family 1 8
Chymase Inhibitor Chymostatin Family 2 3
Histone deacetylase 1 and Histone deacetylase 4 Inhibitor Azum... 3 10
Disks large homolog 4 Inhibitor N-(3,4-difluorophenyl)propyl-e... 3 0
Substance-P receptor Ligand [sar9,met(o2)11]-sp Family 34 9
Integrin alpha-V Inhibitor C[rgdf-(3s)-carboxymorpholine] Family 10 2
Caspase-4 and Cathepsin D Inhibitor Grassystatin A Family 24 6
Baculoviral IAP repeat-containing protein 3 and E3 ubiquitin-p... 44 28
Receptor-type tyrosine-protein phosphatase C Ligand Asp-brpmp-... 2 0
Endothelin-converting enzyme 1 Inhibitor PO3 2-leu-nal-o-3k Fa... 3 26
Mu-type opioid receptor Ligand H-tyr-d-ala-aic-asp-val-val-gly... 48 8
Genome polyprotein Inhibitor Acasp-glu-dif-glu-cha-cys Family 13 17
Genome polyprotein Inhibitor Acasp-glu-met-glu-cha-cys Family 3 6
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
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
Serine/threonine protein phosphatase PP1-alpha 1 catalytic sub... 10 0
Gamma-secretase subunit APH-1B and Presenilin-1 Inhibitor 3114... 8 9
Renin inhibitor (2S,4S,5S)-N-butyl-6-cyclohexyl-4-hydroxy-5-[[... 12 1
Renin inhibitor (2S,4S,5S)-N-(4-aminobutyl)-6-cyclohexyl-4-hyd... 32 2
Renin inhibitor (2S,4S,5S)-N-[3-[[amino-(cyanoamino)methyliden... 7 0
Pol polyprotein inhibitor (2S)-2-[[2-(2,5-dioxoimidazolidin-4-... 2 0
Pol polyprotein inhibitor benzyl N-[(2S,3R)-1-[[(2S,3R,4R)-4-(... 5 26
Beta-secretase 1 and Cathepsin D inhibitor (1R,3S)-N-[(2S,3S)-... 2 25
Pol polyprotein inhibitor benzyl N-[(2S)-1-[[(2S,3S,4R,5S)-3,4... 21 5
Tryptase alpha/beta-1 and Tryptase delta inhibitor (2S,3R)-3-[... 13 17
Renin and Cathepsin D inhibitor (2S)-N-[(2S,3R,4S)-1-cyclohexy... 13 2
Neprilysin and Aminopeptidase N inhibitor (2S)-2-[[(2S)-2-[[[a... 13 1
Carboxypeptidase B and Carboxypeptidase B2 inhibitor (2S)-7-am... 3 9
Renin inhibitor tert-butyl N-[1-[[(3S,6S,7R)-6-(cyclohexylmeth... 14 1
Angiotensin-converting enzyme inhibitor (2R)-1-[4-carboxy-4-(p... 3 3
Glutamate receptor ionotropic, kainate 2 ligand (2S,3S,4S)-4-[... 14 2
NS3 and Non-structural protein 4A inhibitor (4S)-4-[[(2S)-3-ca... 1 1
Caspase-1 inhibitor (3S)-3-[[(2S)-4-(2-naphthalen-1-ylethylami... 1 0
Baculoviral IAP repeat-containing protein 2 and Baculoviral IA... 2 2
Renin and Cathepsin D inhibitor (3S)-4-[[6-acetamido-2-[[3-nap... 6 26
Pol polyprotein inhibitor Lysine Sulfonamide 11c family 3 73
Renin inhibitor [(2R)-1-[[(2S,3S,5R)-6-(butylamino)-1-cyclohex... 5 4
Neprilysin inhibitor SureCN489232 family 3 9
Integrin beta-3 and Integrin alpha-IIb inhibitor (3R)-5-phenyl... 4 1
Cathepsin K inhibitor [(3R)-4,4-dimethyl-1-phenylpentan-3-yl] ... 7 7
Neutrophil collagenase and Matrix metalloproteinase-9 inhibito... 6 1
Growth factor receptor-bound protein 2 ligand 2-[(9S,10S,11E,1... 5 14
Tryptase alpha/beta-1 inhibitor methyl 3-[3-(aminomethyl)pheny... 1 3
Pol polyprotein inhibitor Sulfone deriv. 31 family 15 4
Renin and Cathepsin D inhibitor (4S)-5-cyclohexyl-2,2-difluoro... 16 1
Pol polyprotein inhibitor AC1LADQG family 7 1
Pol polyprotein inhibitor methyl (2S)-2-[[(2S,3R)-2-[[1-[(2R,3... 1 0
Endothelin-converting enzyme 1 and Cathepsin D inhibitor N-[(2... 6 2
Beta-secretase 1 inhibitor (2S)-2-[(3R)-3-acetamido-3-(2-methy... 3 0
Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-... 6 11
Pol polyprotein inhibitor tert-butyl N-[(2S,3S,5R)-5-benzyl-3-... 3 0
Pol polyprotein inhibitor benzyl N-[(2S)-4-amino-1-[[(2S,3R)-4... 2 1
Muscarinic acetylcholine receptor M3 and Muscarinic acetylchol... 13 3
Integrin beta-3 and Integrin alpha-V inhibitor 2-[(1R,5S,11S,1... 8 2
Neprilysin and Angiotensin-converting enzyme inhibitor (2S)-2-... 5 3
Renin inhibitor 2-hydroxy-3-[[(4S,7S)-5-hydroxy-2,8-dimethyl-7... 1 0
72 kDa type IV collagenase and Stromelysin-1 inhibitor (2S,4R)... 5 8
Cathepsin E and Renin inhibitor (2S)-N-[2-[[(2S,3S,5S)-1-cyclo... 4 0
Renin and Cathepsin D inhibitor ethyl (4S)-5-cyclohexyl-2,2-di... 2 0
Renin and Cathepsin D inhibitor N-[(2S)-1-[[(2S)-1-[[(2S)-1-cy... 2 0
Integrin beta-3 and Integrin alpha-IIb inhibitor (3R,6S,12S)-6... 7 0
Neprilysin inhibitor SureCN7437961 family 2 6
Pol polyprotein inhibitor AC1L9R8I family 1 0
Renin inhibitor 2-methylpropyl N-[1-[[1-[[(3R,4S)-1-cyclohexyl... 14 0
Renin inhibitor tert-butyl N-[1-[[1-[[(2S,3R)-1-cyclohexyl-3-h... 2 0
Pol polyprotein inhibitor AC1LA3C0 family 2 18
Pol polyprotein inhibitor Diol-Based HIV-1 protease inhibitor ... 1 0
Pepsin A and Renin inhibitor N-[(3R)-1-[[(1S)-1-hydroxy-3-[[(2... 1 0
Tyrosine-protein phosphatase non-receptor type 1 and Tyrosine-... 1 1
Chymase and Chymotrypsinogen B inhibitor AGN-PC-075LTI family 2 3
Pol polyprotein inhibitor AC1LACBC family 2 0
Serine/threonine-protein kinase mTOR and Peptidyl-prolyl cis-t... 1 0
Histone deacetylase 1 and Histone deacetylase 8 inhibitor meth... 1 3
72 kDa type IV collagenase and Stromelysin-1 inhibitor (3R)-3-... 3 2
Angiotensin-converting enzyme inhibitor SureCN7263641 family 2 11
Calpain-1 catalytic subunit inhibitor Peptidyl alpha-Ketoacid,... 1 0
Growth hormone-releasing hormone receptor ligand (1S)-1'-[(2R)... 7 4
Pol polyprotein and Pepsin A inhibitor cgp 53820 family 1 1
Pol polyprotein inhibitor methyl (2S)-2-[[(2R,4S,5S)-2-benzyl-... 1 1
Ribonucleoside-diphosphate reductase large subunit and Ribonuc... 1 0
Gamma-secretase subunit PEN-2 inhibitor SureCN5966881 family 1 9
Beta-secretase 1 inhibitor 3-[[[(2S)-2-[[(3S,4S)-3-hydroxy-6-m... 2 4
Beta-secretase 1 inhibitor (2R)-4-amino-2-[[(2S)-2-[[(2S)-2-[[... 2 1
NS3 inhibitor 6-[[(2S)-1-[[(2S)-1-[(2S)-2-[[1-(cyclopropylamin... 2 0
Bcl-2-like protein 1 inhibitor CHEMBL501005 family 2 2
Tubulin beta-1 chain inhibitor SureCN6672529 family 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00245949 CHEMBL2204316 Bioactive (4S)-4-amino-5-[[(2S)-1-[[(2S)-4-amino-1-[[(4S,5S,7R)-8-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CFAMM00245965 CHEMBL78946 Bioactive OM99-2
CFAMM00245942 CHEMBL2372119 Bioactive (4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
CFAMM00245955 CHEMBL443565 Bioactive SureCN7161540
CFAMM00245941 CHEMBL2372118 Bioactive (4S)-4-amino-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CFAMM00245947 CHEMBL183214 Bioactive (2R,5S)-5-[[(2S)-2-[[(2R,4S,5S)-5-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-hydroxy-2,7-dimethyloctanoyl]amino]-3-methylbutanoyl]amino]-2-benzyl-4-oxooctanedioic acid
CFAMM00245953 CHEMBL189141 Bioactive (4S)-4-amino-5-[[(2S)-1-[[(2S)-4-amino-1-[[(4S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-hydroxy-6-methyl-3-oxoheptan-4-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CFAMM00245946 CHEMBL66035 Bioactive (4S)-4-[[(2S)-2-[[(2R,5S)-5-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-2,7-dimethyloctanoyl]amino]propanoyl]amino]-5-[[(1S)-1-carboxy-2-phenylethyl]amino]-5-oxopentanoic acid
CFAMM00245960 CHEMBL509188 Bioactive OM-99-1
CFAMM00245967 CHEMBL264379 Bioactive (4S)-4-amino-5-[[(2S)-1-[[(2S)-3-carboxy-1-[[(4S,5S,7R)-8-[[(2S)-1-[[(2S)-4-carboxy-1-[(1-carboxy-2-phenylethyl)amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
CFAMM00245957 CHEMBL2443369 Bioactive (4S)-4-amino-5-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-carboxy-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CFAMM00245966 CHEMBL262295 Bioactive (4R)-4-amino-5-[[1-[[(2S)-4-amino-1-[[(4S,5S,7R)-8-[[(2S)-1-[[(2R)-4-carboxy-1-[(1-carboxy-2-phenylethyl)amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-hydroxy-2,7-dimethyl-8-oxooctan-4-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CFAMM00245956 CHEMBL427759 Bioactive (3S)-3-[[(2S,3R)-2-[[(1R,2R,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-methoxycarbonylcyclopropanecarbonyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[2-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
CFAMM00245964 DNC005409 Investigative Drug Carbocyclic Peptidomimetic
CFAMM00245969 DNC005278 Investigative Drug Glu-Leu-Asp-Leu-(CHOH-CH2)-Ala-Ala-Glu-Phe

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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