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 CFFBM15361
Family Name Pol polyprotein inhibitor (3S)-N-tert-butyl-2-[(2R)-2-[(3S,6S,9Z)-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),9,15,18-tetraen-3-yl]-2-hydroxyethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide family
No. of Seeds 3 No. of Other Members 1
Family Centroid CFAMM00433654 Functional Category Bioactive
Superfamily Glucan synthesis regulatory protein Inhibitor Anidulafungin Superfamily
Class Class 322

Cousin Family NamesSeedsMembers
Serotonin re-uptake Inhibitor Fluoxetine Family 18 682
Sodium channel protein type 5 subunit alpha Ligand Flecainide ... 2 162
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
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
C-C chemokine receptor type 5 Ligand GW873140 Family 6 78
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Lig... 2 23
Plitidepsin family 15 5
Cytochrome P450 2D6 and Delta-type opioid receptor Ligand 4-(s... 17 381
A disintegrin and metalloproteinase with thrombospondin motifs... 7 119
Delta-type opioid receptor Ligand Bw 373u86 Family 31 146
Guanylate cyclase soluble subunit beta-1 Inhibitor Cinaciguat ... 7 50
C-C chemokine receptor type 5 Ligand E-913 Family 6 44
5-hydroxytryptamine receptor 1A Ligand Robalzotan Family 9 41
Voltage-dependent L-type calcium channel Ligand PD173212 Family 24 104
Histamine H3 receptor Ligand A-317920 Family 9 240
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
Potassium voltage-gated channel subfamily A member 3 Ligand 2-... 9 92
Cathepsin B and Cathepsin K Inhibitor Z-ala-leu-tyr(me)-agly-i... 2 1
Histamine H3 receptor Ligand A-349821 Family 49 228
Interstitial collagenase Inhibitor N-hydroxycarbamoylmethyl-4-... 5 24
Mitogen-activated protein kinase 14 Inhibitor N-(4-(trifluorom... 8 39
Cannabinoid receptor 1 Ligand N-(4-methoxyphenethyl)oleamide F... 10 36
72 kDa type IV collagenase and Matrix metalloproteinase-9 Inhi... 9 12
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
Leukotriene A-4 hydrolase Inhibitor N5-[4-(4-(3-furyl)phenoxy)... 7 71
Fatty-acid amide hydrolase 1 Inhibitor 3'-carbamoylbiphenyl-3-... 8 50
Glucosylceramidase Inhibitor N-(propylamide-benzophenone)-1-de... 2 1
Kappa-type opioid receptor Ligand 3-(1-benzylpiperidin-4-yloxy... 24 54
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 ... 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
Peroxisome proliferator-activated receptor delta and Peroxisom... 20 8
Matrilysin and 72 kDa type IV collagenase inhibitor (3S,6R,7S)... 2 2
Prostaglandin E2 receptor EP3 subtype and Prostaglandin E2 rec... 55 36
Melatonin receptor type 1A and Melatonin receptor type 1B liga... 6 19
Histamine H3 receptor ligand SureCN4319687 family 8 15
Pol polyprotein inhibitor benzyl N-[(2S)-1-[[(2S,3S,4R,5S)-3,4... 21 5
D(4) dopamine receptor and D(3) dopamine receptor ligand N-[(3... 2 11
Caspase-1 inhibitor 5-(3-carbamoylnaphthalen-2-yl)oxy-3-[[(2S)... 1 11
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
Histamine H3 receptor ligand 1-(4-pentan-3-ylpiperazin-1-yl)-2... 1 1
E3 ubiquitin-protein ligase XIAP inhibitor N-METHYLALANYL-3-ME... 3 14
Renin inhibitor (1R,5S)-N-cyclopropyl-N-[(3-methoxy-2-methylph... 4 4
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
Multidrug resistance protein 1 inhibitor 1-[2-[(2R)-3-[4-(2,3-... 2 41
Muscarinic acetylcholine receptor M3 and Muscarinic acetylchol... 3 10
Matrix metalloproteinase-9 and Interstitial collagenase inhibi... 2 13
Neprilysin inhibitor SureCN389939 family 5 6
Pol polyprotein inhibitor CHEMBL305466 family 4 7
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
C-C chemokine receptor type 2 and Potassium voltage-gated chan... 2 3
Orexin receptor type 1 and Orexin receptor type 2 ligand [(2S)... 3 1
Beta-secretase 1 inhibitor (2S)-2-[(3S)-3-acetamido-3-butan-2-... 6 3
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
Growth hormone secretagogue receptor type 1 ligand 2-[(2S)-1-[... 2 0
Histamine H3 receptor and Cytochrome P450 2D6 ligand ethyl 4-[... 5 5
Beta-secretase 1 and Cathepsin D inhibitor N-[(2S,3R)-1-(3,5-d... 10 15
Cathepsin K and Cathepsin S inhibitor (1R,2R)-N-[cyano-(2-meth... 1 0
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
Motilin receptor ligand SureCN74051 family 1 0
Vasopressin V1a receptor and Vasopressin V1b receptor ligand C... 6 0
C-C chemokine receptor type 5 ligand 4-[4-[[4-[(5R)-3-cyclohex... 4 2
Angiotensin-converting enzyme 2 and Neprilysin inhibitor (2S)-... 6 1
Renin inhibitor (3S,6R)-6-(cyclohexylmethyl)-7-hydroxy-7-[[(2S... 1 0
Beta-secretase 1 and Cathepsin E inhibitor 1-N-[(1R,2S)-3-(3,5... 3 8
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
Pol polyprotein inhibitor N-[2-Hydroxy-2-(8-Isopropyl-6,9-Diox... 7 6
Histamine H3 receptor ligand SureCN7244264 family 1 0
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 AC1LALH8 family 2 1
Neprilysin and Angiotensin-converting enzyme inhibitor (2S)-2-... 1 0
Growth hormone secretagogue receptor type 1 ligand SureCN76477... 2 1
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
Beta-3 adrenergic receptor and Beta-1 adrenergic receptor liga... 16 2
Histamine H3 receptor and D(3) dopamine receptor ligand AGN-PC... 1 0
Renin inhibitor (2S,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-... 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
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


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00433654 CHEMBL306727 Bioactive (3S)-N-tert-butyl-2-[(2R)-2-[(3S,6S,9Z)-5,8-dioxo-6-propan-2-yl-14-oxa-4,7-diazabicyclo[13.2.2]nonadeca-1(17),9,15,18-tetraen-3-yl]-2-hydroxyethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
CFAMM00433653 CHEMBL431569 Bioactive (3S)-N-tert-butyl-2-[(2R)-2-[(3S,6S,9Z)-5,8-dioxo-6-propan-2-yl-15-oxa-4,7-diazabicyclo[14.2.2]icosa-1(18),9,16,19-tetraen-3-yl]-2-hydroxyethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

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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