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 CFFBM1153
Family Name Thymidylate synthase inhibitor (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid family
No. of Seeds 55 No. of Other Members 43
Family Centroid CFAMM00320088 Functional Category Bioactive
Superfamily Thymidylate synthase Binder Superfamily
Class Class 1253

Cousin Family NamesSeedsMembers
Peptide deformylase, mitochondrial inhibitor folic acid analog... 59 98
Integrin alpha-V and Integrin beta-3 Inhibitor SB-223245 Family 27 36
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 19 103
Thymidylate synthase inhibitor (2S)-2-[[4-[(2-methyl-4-oxo-1,6... 15 107
Bifunctional dihydrofolate reductase-thymidylate synthase and ... 6 11
Thymidylate synthase inhibitor AC1LABAB family 14 3
Trifunctional purine biosynthetic protein adenosine-3 inhibito... 4 11
Thymidylate synthase inhibitor AC1LAB82 family 17 0
Thymidylate synthase inhibitor AC1LAB7Z family 8 3
Dihydrofolate reductase and Thymidylate synthase inhibitor 2-[... 10 5
Dihydrofolate reductase inhibitor 2-[[4-carboxy-4-[[4-[(2,4-di... 3 1
Dihydrofolate reductase inhibitor AGN-PC-075RRH family 2 3
Dipeptidyl peptidase 4 inhibitor 3-[6-[(3R,4S)-3-amino-4-(2,4,... 3 7
Prostaglandin D2 receptor ligand 1-[3-[2-methoxy-6-[2-(4-metho... 6 16
Thymidylate synthase inhibitor (2S)-2-[[(4S)-4-carboxy-4-[[(4S... 7 11
Trifunctional purine biosynthetic protein adenosine-3 inhibito... 4 1
Folylpolyglutamate synthase, mitochondrial and Dihydrofolate r... 3 0
Dihydrofolate reductase inhibitor 2-[[4-[2-(2-amino-4-oxo-1,5,... 2 0
Thymidylate synthase inhibitor SureCN6446340 family 2 1
Cationic trypsin and Prothrombin inhibitor 2-ketobenzothiazole... 1 3
Trifunctional purine biosynthetic protein adenosine-3 inhibito... 1 0
Beta-secretase 1 inhibitor 3-[[(2R,3S)-3-[[(2S)-2-[[(2S)-2-[[(... 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00320121 CHEMBL293148 Bioactive (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
CFAMM00320134 CHEMBL414012 Bioactive (2R)-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]pentanedioic acid
CFAMM00320088 CHEMBL156447 Bioactive (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
CFAMM00320166 CHEMBL170933 Bioactive (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
CFAMM00320120 CHEMBL289749 Bioactive (2S)-2-[[(2S)-4-carboxy-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]-2-fluorobenzoyl]amino]butanoyl]-methylamino]pentanedioic acid
CFAMM00320087 CHEMBL1202137 Bioactive (2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
CFAMM00320113 CHEMBL354785 Bioactive (2R)-2-[[(4S)-4-carboxy-4-[[2-fluoro-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
CFAMM00320119 CHEMBL36721 Bioactive (2S)-2-[[(2S)-4-carboxy-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanoyl]amino]pentanedioic acid
CFAMM00320112 CHEMBL1202139 Bioactive (2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
CFAMM00320105 CHEMBL349432 Bioactive (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]butanoyl]amino]hexanedioic acid;2,2,2-trifluoroacetic acid
CFAMM00320164 CHEMBL36433 Bioactive (2S)-2-[[(2S)-4-carboxy-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]-methylamino]pentanedioic acid
CFAMM00320118 CHEMBL295681 Bioactive 2-[[4-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CFAMM00320144 CHEMBL295708 Bioactive 2-[[4-[[4-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CFAMM00320157 CHEMBL320794 Bioactive (2R)-2-[[(4R)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
CFAMM00320085 CHEMBL317717 Bioactive (2R)-2-[[(4S)-4-carboxy-4-[[4-[[(6R)-2-methyl-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
CFAMM00320124 CHEMBL35926 Bioactive (2S)-2-[[(2S)-4-carboxy-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]butanoyl]-ethylamino]pentanedioic acid
CFAMM00320137 CHEMBL128033 Bioactive AC1LAB7Q
CFAMM00320091 CHEMBL1202138 Bioactive (2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
CFAMM00320104 CHEMBL58548 Bioactive (2S)-5-[[(1R)-1-carboxyethyl]amino]-2-[[4-[(2-methyl-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid
CFAMM00320117 CHEMBL290277 Bioactive 2-[[4-[[4-[[4-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CFAMM00320130 CHEMBL1202140 Bioactive (2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
CFAMM00320169 CHEMBL367732 Bioactive (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
CFAMM00320084 CHEMBL37106 Bioactive (2S)-2-[[(2S)-4-carboxy-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]butanoyl]-methylamino]pentanedioic acid
CFAMM00320097 CHEMBL112185 Bioactive (2R)-5-[[(1R)-1-carboxyethyl]amino]-2-[[2-fluoro-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid
CFAMM00320136 CHEMBL353066 Bioactive (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
CFAMM00320090 CHEMBL168952 Bioactive (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-methylamino]-2-fluorobenzoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
CFAMM00320103 CHEMBL320450 Bioactive 2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
CFAMM00320116 CHEMBL30179 Bioactive (2S)-2-[[(2S)-4-carboxy-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]butanoyl]-prop-2-ynylamino]pentanedioic acid
CFAMM00320162 CHEMBL171226 Bioactive (2S)-2-[[(4S)-4-carboxy-4-[[2-fluoro-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
CFAMM00320129 CHEMBL323098 Bioactive (2R)-2-[[(4S)-4-carboxy-4-[[4-[[(6S)-2-methyl-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl]-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
CFAMM00320142 CHEMBL264807 Bioactive (2S)-2-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]pentanedioic acid
CFAMM00320083 CHEMBL264609 Bioactive (2S)-2-[[(2S)-4-carboxy-2-[[2-fluoro-4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]-methylamino]pentanedioic acid
CFAMM00320155 CHEMBL326128 Bioactive (2R)-2-[[(4R)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]hexanedioic acid
CFAMM00320168 CHEMBL160498 Bioactive (2S)-2-[[(4S)-4-carboxy-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]-2-fluorobenzoyl]amino]butanoyl]amino]pentanedioic acid
CFAMM00320122 CHEMBL434602 Bioactive (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1,6,7,8-tetrahydrocyclopenta[g]quinazolin-6-yl)-prop-2-ynylamino]benzoyl]amino]butanoyl]-methylamino]pentanedioic acid
CFAMM00320148 CHEMBL113266 Bioactive (2R)-2-[[(4R)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]butanedioic acid
CFAMM00320161 CHEMBL168970 Bioactive (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]hexanedioic acid;2,2,2-trifluoroacetic acid
CFAMM00320089 CHEMBL6676 Bioactive (2R)-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanedioic acid
CFAMM00320135 CHEMBL263325 Bioactive (2R)-2-[[(4S)-4-carboxy-4-[[2-fluoro-4-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
CFAMM00320102 CHEMBL301895 Bioactive (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
CFAMM00320115 CHEMBL355543 Bioactive (2S)-2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
CFAMM00320128 CHEMBL170789 Bioactive (2R)-2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid
CFAMM00320141 CHEMBL406575 Bioactive 2-[[4-[[4-[[4-[[4-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CFAMM00320082 CHEMBL291084 Bioactive (2S)-2-[[(2S)-4-carboxy-2-[[4-[(2,7-dimethyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]-methylamino]pentanedioic acid
CFAMM00320154 CHEMBL170494 Bioactive (2S)-2-[[(4S)-4-carboxy-4-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]hexanedioic acid
CFAMM00320167 CHEMBL288666 Bioactive (2S)-2-[[(2S)-4-carboxy-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid

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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