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 CFFBM17169
Family Name Beta-secretase 1 inhibitor 1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide family
No. of Seeds 8 No. of Other Members 7
Family Centroid CFAMM00440875 Functional Category Bioactive with Natural Product
Superfamily Beta-secretase 1 and Cathepsin B Binder Superfamily 3
Class Class 3128

Cousin Family NamesSeedsMembers
HIV-1 protease Inhibitor Lopinavir Family 4 25
Growth hormone secretagogue receptor type 1 Ligand TZP-101 Family 28 263
C-C chemokine receptor type 5 Ligand GW873140 Family 6 78
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Lig... 2 23
Microsomal triglyceride transfer protein large subunit Inhibit... 3 103
5-hydroxytryptamine receptor 1A Ligand Robalzotan Family 9 41
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
Potassium voltage-gated channel subfamily A member 3 Ligand 2-... 9 92
Histamine H3 receptor Ligand A-349821 Family 49 228
Mitogen-activated protein kinase 14 Inhibitor N-(4-(trifluorom... 8 39
Melanin-concentrating hormone receptor 1 Ligand N-(1-benzylpip... 9 57
Voltage-dependent T-type calcium channel subunit alpha-1H Liga... 5 26
Beta-3 adrenergic receptor Ligand BMS-196085 Family 18 72
Fatty-acid amide hydrolase 1 Inhibitor 3'-carbamoylbiphenyl-3-... 8 50
Kappa-type opioid receptor Ligand 3-(1-benzylpiperidin-4-yloxy... 24 54
Glycine receptor subunit beta Ligand ORG-25543 Family 10 153
Pol polyprotein inhibitor tert-butyl N-[(2S,3S,5R)-5-benzyl-3-... 2 3
Pol polyprotein inhibitor 180968-31-4 family 8 13
Beta-secretase 1 and Cathepsin D inhibitor 3ixj family 10 21
Prostaglandin E2 receptor EP3 subtype and Prostaglandin E2 rec... 55 36
Beta-secretase 1 inhibitor SureCN8292705 family 7 6
Caspase-1 inhibitor 5-(3-carbamoylnaphthalen-2-yl)oxy-3-[[(2S)... 1 11
Alpha-2B adrenergic receptor and Alpha-2C adrenergic receptor ... 3 2
Beta-secretase 1 and Beta-secretase 2 inhibitor SureCN5224847 ... 3 24
Prothrombin inhibitor N-cyclohexyl-3-[3-(diaminomethylideneami... 3 4
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
Multidrug resistance protein 1 inhibitor 1-[2-[(2R)-3-[4-(2,3-... 2 41
Pol polyprotein inhibitor AC1LA9K7 family 7 23
Substance-P receptor ligand AGN-PC-075NP5 family 4 8
Muscarinic acetylcholine receptor M3 and Muscarinic acetylchol... 3 10
Pol polyprotein inhibitor CHEMBL305466 family 4 7
Prostaglandin D2 receptor 2 ligand SureCN1713638 family 2 1
Pol polyprotein inhibitor KNI-1279 family 3 0
Angiotensin-converting enzyme and Angiotensin-converting enzym... 3 13
Plasmepsin-1 and Plasmepsin-2 inhibitor N-[(2S,3S)-5-[[(2S)-1-... 1 2
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
Kappa-type opioid receptor and Cytochrome P450 2D6 ligand Sure... 4 0
Beta-secretase 1 and Cathepsin D inhibitor N-[(2S,3R)-1-(3,5-d... 10 15
Mu-type opioid receptor and Delta-type opioid receptor ligand ... 15 4
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
Beta-secretase 1 and Beta-secretase 2 inhibitor 3-(1,1-dioxoth... 6 2
Beta-secretase 1 and Cathepsin E inhibitor 1-N-[(1R,2S)-3-(3,5... 3 8
Pol polyprotein inhibitor AC1LA3AI family 5 9
Pol polyprotein inhibitor (3S)-N-tert-butyl-2-[(2R)-2-[(3S,6S,... 3 1
Pol polyprotein inhibitor AC1LALH8 family 2 1
Plasmepsin-1 and Plasmepsin-2 inhibitor N-[(2S,3S)-5-[[(2S)-1-... 2 4
Beta-secretase 1 inhibitor N-[(2S,3R)-1-(3,5-difluorophenyl)-3... 5 5
Pol polyprotein inhibitor AC1LA3B0 family 1 2
Renin inhibitor (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-... 2 0
Renin inhibitor N-[(2S,3S,5R)-2-amino-6-(butylamino)-3-hydroxy... 5 1
Cathepsin E and Cathepsin D inhibitor SureCN2529506 family 2 0
Beta-secretase 1 inhibitor SureCN12854847 family 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00440862 CHEMBL539654 Bioactive 1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-(4-methoxyphenoxy)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CFAMM00440875 CHEMBL540729 Bioactive 1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CFAMM00440873 CHEMBL555517 Bioactive 1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-[(Z)-N-methoxy-C-methylcarbonimidoyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CFAMM00440866 CHEMBL539976 Bioactive 1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-phenoxy-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CFAMM00440872 CHEMBL541736 Bioactive 1-N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[(3-methoxyphenyl)methylamino]butan-2-yl]-5-[(Z)-C-methyl-N-prop-2-enoxycarbonimidoyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CFAMM00440865 CHEMBL539973 Bioactive SureCN3887082
CFAMM00440864 CHEMBL453413 Bioactive SureCN12854799
CFAMM00440876 CHEMBL445721 Bioactive 1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2S)-4-[(2-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]propan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

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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