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 CFFAD398
Family Name Glucan synthesis regulatory protein Inhibitor Caspofungin Family
No. of Seeds 17 No. of Other Members 71
Family Centroid CFAMM00056257 Functional Category Approved Drug with Human Metabolite & Natural Product
Superfamily Glucan synthesis regulatory protein Inhibitor Caspofungin Superfamily
Class Class 323

Cousin Family NamesSeedsMembers
Vasopressin V2 receptor ligand peptide analog Desmopressin family 111 1472
Alpha-1 adrenergic receptor ligand arylethanolamine derivative... 4 37
Trypsin inhibitor polypeptide Aprotinin Family 7 68
Beta-2 adrenergic receptor ligand catecholamine Salbutamol Family 10 90
Oxytocin receptor Ligand Oxytocin Family 30 182
Penicillin binding protein inhibitor β-lactam aminopenicillin ... 12 359
Penicillin binding protein Inhibitor Cefadroxil Family 5 17
Tyrosine 3-monooxygenase Inhibitor L-tyrosine Family 4 36
Growth hormone-releasing hormone receptor ligand polypeptide ... 14 34
Mu-type opioid receptor Ligand Alvimopan Family 32 325
Atrial natriuretic peptide receptor 1 Ligand Nesiritide Family 6 111
Bacterial outer membrane Inhibitor Polymyxin B Family 17 181
Thymopentin family 20 133
B2 bradykinin receptor Ligand Labradimil Family 1 1
Growth hormone secretagogue receptor type 1 Ligand TZP-101 Family 28 263
Thymosin Beta-4 family 8 30
Plitidepsin family 15 5
Flovagatran family 12 546
Tryptase Inhibitor APC-366 Family 2 12
A disintegrin and metalloproteinase with thrombospondin motifs... 7 119
Neuropeptide Y receptor type 1 Ligand Bibp 3226 Family 43 80
Integrin alpha-V and Integrin beta-3 Inhibitor C[rgd-(s)-alpha... 19 95
Renin Inhibitor CP-80794 Family 16 112
Vasopeptidase Inhibitor Sampatrilat Family 25 9
Neuromedin-K receptor Ligand Senktide Family 15 22
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 20 35
Caspase-1 Inhibitor Yvad Family 1 0
Voltage-dependent L-type calcium channel Ligand PD173212 Family 24 104
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
Proto-oncogene tyrosine-protein kinase Src Inhibitor Glu-pro-g... 8 4
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
Integrin beta-3 Inhibitor RWJ-53419 Family 6 65
Proto-oncogene tyrosine-protein kinase Src Inhibitor Y-c[d-pen... 20 66
Cathepsin B and Cathepsin K Inhibitor Z-ala-leu-tyr(me)-agly-i... 2 1
Plasmepsin-1 Inhibitor SC-5003 Family 93 173
Nociceptin receptor Ligand Fggftgcrkscrk Family 10 0
Beta-secretase 1 Inhibitor Glu-leu-asp-leu-(choh-ch2)-ala-ala-... 15 11
Calcitonin gene-related peptide type 1 receptor Ligand Fvptdvg... 8 8
Estradiol 17-beta-dehydrogenase 1 Inhibitor N-isopropyl Estrad... 3 0
Proto-oncogene tyrosine-protein kinase Src Inhibitor Ac-cys-il... 9 43
Proto-oncogene tyrosine-protein kinase Src Inhibitor Ac-cys-il... 36 12
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 12 46
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 23 9
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 36 15
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 31 5
Mu-type opioid receptor and Nociceptin receptor Ligand Ac-ryyr... 60 11
Oxytocin receptor Ligand [mpa1, D-tyr(et)2, D-tic7]ot Family 43 26
Beta-secretase 1 Inhibitor KMI-172 Family 3 0
C-X-C chemokine receptor type 4 Ligand Cyclo(-d-tyr-l-ala-l-ar... 25 23
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
Prothrombin Inhibitor Cyclotheonamide E5 Family 3 0
Integrin alpha-V Inhibitor C[rgdf-(3s)-carboxymorpholine] Family 10 2
Caspase-4 and Cathepsin D Inhibitor Grassystatin A Family 24 6
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
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 12 8
Genome polyprotein Inhibitor Acasp-glu-cha-val-prb-cys Family 13 18
Genome polyprotein Inhibitor Acasp-glu-dif-ile-cha-cys-iqc-nle... 9 0
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 152 36
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 3 0
Sodium-dependent dopamine transporter Inhibitor Bip-tyr-thr-pr... 8 2
Delta-type opioid receptor and Kappa-type opioid receptor Liga... 11 4
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 8 4
Delta-type opioid receptor and Kappa-type opioid receptor Liga... 48 10
Delta-type opioid receptor and Mu-type opioid receptor Ligand ... 95 46
Mu-type opioid receptor and Nociceptin receptor Ligand Nocicep... 35 5
Gamma-secretase subunit APH-1B and Presenilin-1 Inhibitor 3114... 8 9
Vasopressin V1a receptor Ligand Vasopressin Analogue Family 4 3
Pol polyprotein inhibitor 180968-31-4 family 8 13
Glutamate receptor ionotropic, NMDA 1 and Glutamate receptor i... 1 9
Interstitial collagenase and Low affinity immunoglobulin epsil... 1 1
Integrin beta-1 and Integrin alpha-4 inhibitor (3S,6R,11R,14S)... 1 0
Mu-type opioid receptor and Delta-type opioid receptor ligand ... 3 0
Neprilysin and Angiotensin-converting enzyme inhibitor AGN-PC-... 3 7
Calpain-1 catalytic subunit and Cathepsin B inhibitor AGN-PC-0... 6 1
Cathepsin B and Calpain-2 catalytic subunit inhibitor AGN-PC-0... 2 2
Mu-type opioid receptor and Kappa-type opioid receptor ligand ... 4 2
Integrin beta-1 and Integrin alpha-4 inhibitor SureCN6368456 f... 3 23
Tyrosine--tRNA ligase, cytoplasmic inhibitor (2S)-2-[[(2S)-2-a... 5 2
Gamma-aminobutyric acid type B receptor subunit 1 ligand CGP-6... 3 0
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[[(4S)-3... 3 24
Angiotensin-converting enzyme and Angiotensin-converting enzym... 3 13
Muscarinic acetylcholine receptor M3 and Beta-2 adrenergic rec... 5 0
Pol polyprotein inhibitor AC1LADQG family 7 1
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
C-X-C chemokine receptor type 4 ligand CHEMBL2012526 family 4 8
Plasminogen inhibitor (2S)-2-acetamido-5-(diaminomethylideneam... 1 0
Oxytocin receptor ligand (2S)-N-[(2R)-1-[2-[[5-amino-1-[[1-ami... 4 0
Angiotensin-converting enzyme and Neprilysin inhibitor (2S,5R)... 15 3
KiSS-1 receptor ligand (2S)-N-[(2S)-1-[[(2S)-4-amino-1-[[(2S)-... 1 0
Mu-type opioid receptor ligand 4-[(2S)-3-[[(2S)-1-(4-hydroxyph... 2 6
Mu-type opioid receptor and Delta-type opioid receptor ligand ... 2 0
Neurotensin receptor type 1 ligand (2S)-2-[[(2S,3S)-2-[[(2S)-2... 2 1
Integrin beta-3 and Integrin alpha-IIb inhibitor (2S)-5-(diami... 2 0
Dipeptidyl peptidase 4 inhibitor (2S)-1-[(2S,4R)-4-(3-hydroxyp... 4 1
Neprilysin and Angiotensin-converting enzyme inhibitor (2S)-2-... 1 3
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
Delta-type opioid receptor and Mu-type opioid receptor ligand ... 1 3
Integrin beta-1 and Integrin alpha-4 inhibitor (2S)-2-[[(2S)-1... 3 1
Integrin beta-1 and Integrin alpha-4 inhibitor SureCN6429531 f... 2 0
Prothrombin inhibitor (2S)-1-[(2R)-2-amino-2-cyclohexylacetyl]... 2 1
Pol polyprotein inhibitor Diol-Based HIV-1 protease inhibitor ... 1 0
Neprilysin and Angiotensin-converting enzyme inhibitor (2S)-2-... 1 0
Gonadotropin-releasing hormone receptor ligand (3R,6S,12S,15S,... 1 0
Mu-type opioid receptor and Delta-type opioid receptor ligand ... 1 2
Ribonucleoside-diphosphate reductase large subunit and Ribonuc... 1 0
Beta-lactamase inhibitor sodium;(1R,5S)-4-[2-amino-2-(4-hydrox... 1 0
Signal transducer and activator of transcription 3 inhibitor [... 7 25
Beta-secretase 1 inhibitor 3-[[[(2S)-2-[[(3S,4S)-3-hydroxy-6-m... 2 4
1,3-beta-glucan synthase component GSC2 inhibitor CHEMBL407395... 1 2
Signal transducer and activator of transcription 3 inhibitor [... 3 1
C-C chemokine receptor type 3 ligand SureCN3932025 family 1 1


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00056257 DAP000547 Approved Drug Caspofungin
CFAMM00056300 CHEMBL407429 Bioactive (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid
CFAMM00056307 CHEMBL408820 Bioactive CHEMBL408820
CFAMM00056226 CHEMBL120035 Bioactive (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]propanoic acid
CFAMM00056313 CHEMBL266683 Bioactive CHEMBL266683
CFAMM00056256 CHEMBL428110 Bioactive CHEMBL428110
CFAMM00056272 CHEMBL122183 Bioactive (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]propanoic acid
CFAMM00056296 CHEMBL428098 Bioactive (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid
CFAMM00056311 CHEMBL415670 Bioactive AC1MHQQK
CFAMM00056325 CHEMBL1793852 Bioactive CHEMBL1793852
CFAMM00056323 CHEMBL437803 Bioactive CHEMBL437803
CFAMM00056309 CHEMBL386178 Bioactive (2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]propanoic acid
CFAMM00056252 CHEMBL2153727 Bioactive CHEMBL2153727
CFAMM00056234 DNC009386 Investigative Drug cyclo(1,11)H-ESIYDPGDDIK-OH
CFAMM00056283 DNC014490 Investigative Drug ACULEACIN A
CFAMM00056260 DNC011508 Investigative Drug DERMORPHIN
CFAMM00056223 DNC012190 Investigative Drug L-692289

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
 

 

21760 visits since 2014 .........

 



Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


All rights reserved.

   
 
 
Computer-aided Drug Design
about BIDD |  databases |  software |  teaching |  research |  links

 

Department of Computational Science | National University of Singapore | Blk S17, 3 Science Drive 2, Singapore 117543