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 CFFBM9112
Family Name Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-4-phenylbutanamide family
No. of Seeds 6 No. of Other Members 3
Family Centroid CFAMM00393072 Functional Category Bioactive
Superfamily Beta-secretase 1 and Cathepsin S Binder Superfamily
Class Class 1297

Cousin Family NamesSeedsMembers
Glucan synthesis regulatory protein Inhibitor Caspofungin Family 17 71
Angiotensin-converting enzyme Inhibitor Moexipril Family 5 469
Glycoprotein IIb/IIIa receptor Ligand Tirofiban Family 4 173
HIV-1 protease Inhibitor Lopinavir Family 4 25
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
Plitidepsin family 15 5
A disintegrin and metalloproteinase with thrombospondin motifs... 7 119
C-C chemokine receptor type 5 Ligand E-913 Family 6 44
Voltage-dependent L-type calcium channel Ligand PD173212 Family 24 104
Cathepsin F Inhibitor Benzoyl-tyrosine-alanine-methyl Ketone F... 34 55
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
Potassium voltage-gated channel subfamily A member 3 Ligand 2-... 9 92
Histamine H3 receptor Ligand A-349821 Family 49 228
72 kDa type IV collagenase and Matrix metalloproteinase-9 Inhi... 9 12
Mu-type opioid receptor and Nociceptin receptor Ligand Ac-ryyr... 60 11
Melanin-concentrating hormone receptor 1 Ligand N-(1-benzylpip... 9 57
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
Fatty-acid amide hydrolase 1 Inhibitor 3'-carbamoylbiphenyl-3-... 8 50
Kappa-type opioid receptor Ligand 3-(1-benzylpiperidin-4-yloxy... 24 54
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
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 8 4
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 95 46
Vasopressin V1a receptor Ligand Vasopressin Analogue Family 4 3
Pol polyprotein inhibitor tert-butyl N-[(2S,3S,5R)-5-benzyl-3-... 2 3
Pol polyprotein inhibitor 180968-31-4 family 8 13
Disintegrin and metalloproteinase domain-containing protein 17... 28 10
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
Glutamate receptor ionotropic, kainate 2 ligand (2S,3S,4S)-4-[... 4 10
E3 ubiquitin-protein ligase XIAP inhibitor N-METHYLALANYL-3-ME... 3 14
Renin inhibitor N-[(2S,4S,5S,7S)-7-[2-(1-acetylpiperidin-4-yl)... 2 1
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
3-hydroxyacyl-CoA dehydrogenase type-2 and Retinal dehydrogena... 1 15
Muscarinic acetylcholine receptor M3 and Muscarinic acetylchol... 3 10
Kappa-type opioid receptor and Delta-type opioid receptor liga... 3 4
Matrix metalloproteinase-9 and Interstitial collagenase inhibi... 2 13
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-[[(4S)-3... 3 24
Angiotensin-converting enzyme and Angiotensin-converting enzym... 3 13
Growth hormone secretagogue receptor type 1 ligand tert-butyl ... 5 4
Histone deacetylase and Histone deacetylase 3 inhibitor (3S,6S... 1 0
Growth hormone secretagogue receptor type 1 ligand 2-(2-acetyl... 2 0
Growth hormone secretagogue receptor type 1 ligand 2-benzylsul... 2 0
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-... 4 6
Pol polyprotein inhibitor MDL 74538 family 11 1
Kappa-type opioid receptor and Cytochrome P450 2D6 ligand Sure... 4 0
Kappa-type opioid receptor and Cytochrome P450 2D6 ligand Sure... 4 3
NS3 inhibitor Proline-Based Macrocycle 24 family 6 6
NS3 inhibitor CHEMBL201121 family 1 4
Angiotensin-converting enzyme and Neprilysin inhibitor (2S,5R)... 15 3
Muscarinic acetylcholine receptor M3 and Muscarinic acetylchol... 2 8
Baculoviral IAP repeat-containing protein 3 and E3 ubiquitin-p... 7 1
Caspase-1 and Caspase-8 inhibitor N-[(6S)-1-[2-[[(3S)-2-hydrox... 3 1
Angiotensin-converting enzyme 2 and Neprilysin inhibitor (2S)-... 6 1
Caspase-1 inhibitor (3S)-3-[2-[3-(naphthalene-1-carbonylamino)... 13 5
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
Pol polyprotein inhibitor AC1LA3AI family 5 9
Renin and Cathepsin D inhibitor (4S)-5-cyclohexyl-2,2-difluoro... 2 0
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
Pol polyprotein inhibitor (3S)-N-tert-butyl-2-[(2R)-2-[(3S,6S,... 3 1
Pol polyprotein inhibitor AC1LALH8 family 2 1
Neprilysin and Angiotensin-converting enzyme inhibitor (2S)-2-... 1 0
Calpain-2 catalytic subunit and Cathepsin B inhibitor AGN-PC-0... 1 0
Melanin-concentrating hormone receptor 1 ligand N-methyl-N-[(3... 2 2
Beta-secretase 1 inhibitor N-[(2S,3R)-1-(3,5-difluorophenyl)-3... 5 5
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
Kappa-type opioid receptor ligand N-[(1S)-2-[(3S)-3-hydroxypyr... 2 0
Neuropeptide Y receptor type 1 and Sodium-dependent serotonin ... 2 7
Renin inhibitor N-[(2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy... 5 1


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00393074 CHEMBL1917907 Bioactive (2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-(8-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl)propan-2-yl]-4-phenylbutanamide
CFAMM00393067 CHEMBL1915989 Bioactive (2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-8-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl]-4-phenylbutanamide
CFAMM00393072 CHEMBL1914472 Bioactive (2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-4-phenylbutanamide
CFAMM00393071 CHEMBL1915978 Bioactive (2S)-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-2-[(3R)-3-[(1R)-1-hydroxybutyl]-2-oxopyrrolidin-1-yl]-4-phenylbutanamide
CFAMM00393075 CHEMBL1917902 Bioactive (2S)-2-[(3S)-3-acetamido-3-butan-2-yl-2-oxopyrrolidin-1-yl]-N-[(2S,3R)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]-1-phenylbutan-2-yl]-4-phenylbutanamide
CFAMM00393068 CHEMBL1915751 Bioactive (2S)-2-[(3R)-3-acetamido-3-(cyclopropylmethyl)-2-oxopyrrolidin-1-yl]-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-4-phenylbutanamide

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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