CFam Chemical Families Database
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You are searching for "CFAMM00316965" in compound.

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CFAM Mol ID CFAMM00316965
Family CFFBM892 Glucagon-like peptide 1 receptor ligand CHEMBL1092373 family
Superfamily CFSBM507 Melanocortin receptor 4 and Melanocortin receptor 5 Binder Superfamily
Class CFCBM196 Class 3246
External ID CHEMBL1092704 External Source CHEMBL
PubChem CID 46883763 Functional Category Bioactive
Molecule Name CHEMBL1092704
IUPAC Name
Synonyms CHEBI:719355
InChi InChI=1S/C208H319N49O65S/c1-19-106(10)169(199(315)237-132(58-65-165(284)285)185(301)241-138(82-114-89-219-123-42-27-26-41-118(114)123)189(305)239-134(77-102(2)3)187(303)229-124(43-28-30-69-209)180(296)242-139(87-154(212)269)176(292)222-91-156(271)220-95-160(275)254-72-33-46-146(254)195(311)247-143(98-260)194(310)246-142(97-259)177(293)224-92-157(272)226-109(13)202(318)256-74-35-48-148(256)204(320)257-75-36-49-149(257)203(319)255-73-34-47-147(255)196(312)245-141(96-258)172(213)288)252-190(306)136(80-112-37-22-20-23-38-112)240-188(304)135(78-103(4)5)238-181(297)126(45-32-71-218-206(214)215)236-198(314)168(105(8)9)251-173(289)108(12)227-178(294)129(55-62-162(278)279)232-183(299)130(56-63-163(280)281)233-184(300)131(57-64-164(282)283)234-186(302)133(67-76-323-18)235-182(298)128(53-59-153(211)268)231-179(295)125(44-29-31-70-217-155(270)60-50-107(11)119-51-52-120-167-121(86-152(267)208(119,120)17)207(16)68-66-117(265)83-115(207)84-150(167)266)230-192(308)144(99-261)248-197(313)151(79-104(6)7)322-205(321)140(88-166(286)287)244-193(309)145(100-262)249-201(317)171(111(15)264)253-191(307)137(81-113-39-24-21-25-40-113)243-200(316)170(110(14)263)250-159(274)94-223-175(291)127(54-61-161(276)277)228-158(273)93-221-174(290)122(210)85-116-90-216-101-225-116/h20-27,37-42,89-90,101-111,115,117,119-122,124-152,167-171,219,258-267H,19,28-36,43-88,91-100,209-210H2,1-18H3,(H2,211,268)(H2,212,269)(H2,213,288)(H,216,225)(H,217,270)(H,220,271)(H,221,290)(H,222,292)(H,223,291)(H,224,293)(H,226,272)(H,227,294)(H,228,273)(H,229,303)(H,230,308)(H,231,295)(H,232,299)(H,233,300)(H,234,302)(H,235,298)(H,236,314)(H,237,315)(H,238,297)(H,239,305)(H,240,304)(H,241,301)(H,242,296)(H,243,316)(H,244,309)(H,245,312)(H,246,310)(H,247,311)(H,248,313)(H,249,317)(H,250,274)(H,251,289)(H,252,306)(H,253,307)(H,276,277)(H,278,279)(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H4,214,215,218)/t106-,107+,108-,109-,110+,111+,115-,117+,119+,120-,121-,122-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150+,151-,152-,167-,168-,169-,170-,171-,207-,208+/m0/s1
InChiKey JOTBKELLPHCDAY-NSVQZEAWSA-N
Formula C208H319N49O65S Molecular Weight 4578.11
Cross Link CHEMBL1092704
Structure

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


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