CFam Chemical Families Database
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You are searching for "CFAMM00316966" in compound.

Total 1 results found.

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Search Results

CFAM Mol ID CFAMM00316966
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 CHEMBL1092709 External Source CHEMBL
PubChem CID 46883768 Functional Category Bioactive
Molecule Name CHEMBL1092709
IUPAC Name
Synonyms CHEBI:719360
InChi InChI=1S/C232H357N49O65S/c1-22-122(10)191(221(339)261-156(68-76-188(308)309)207(325)265-162(99-131-105-243-147-45-30-29-44-137(131)147)211(329)263-158(94-118(2)3)209(327)253-149(47-32-34-87-241-178(294)71-54-124(12)141-60-62-143-139-58-56-133-101-136(290)78-83-230(133,18)145(139)80-85-232(141,143)20)202(320)266-163(103-176(235)292)198(316)246-107-179(295)244-111-183(299)278-89-36-49-170(278)217(335)271-167(114-284)216(334)270-166(113-283)199(317)248-108-180(296)250-126(14)224(342)280-91-38-51-172(280)226(344)281-92-39-52-173(281)225(343)279-90-37-50-171(279)218(336)269-165(112-282)194(236)312)276-212(330)160(97-129-40-25-23-26-41-129)264-210(328)159(95-119(4)5)262-203(321)150(48-35-88-242-228(237)238)260-220(338)190(121(8)9)275-195(313)125(13)251-200(318)153(65-73-185(302)303)256-205(323)154(66-74-186(304)305)257-206(324)155(67-75-187(306)307)258-208(326)157(81-93-347-21)259-204(322)152(63-69-175(234)291)255-201(319)148(46-31-33-86-240-177(293)70-53-123(11)140-59-61-142-138-57-55-132-100-135(289)77-82-229(132,17)144(138)79-84-231(140,142)19)254-214(332)168(115-285)272-219(337)174(96-120(6)7)346-227(345)164(104-189(310)311)268-215(333)169(116-286)273-223(341)193(128(16)288)277-213(331)161(98-130-42-27-24-28-43-130)267-222(340)192(127(15)287)274-182(298)110-247-197(315)151(64-72-184(300)301)252-181(297)109-245-196(314)146(233)102-134-106-239-117-249-134/h23-30,40-45,105-106,117-128,132-133,135-136,138-146,148-174,190-193,243,282-290H,22,31-39,46-104,107-116,233H2,1-21H3,(H2,234,291)(H2,235,292)(H2,236,312)(H,239,249)(H,240,293)(H,241,294)(H,244,295)(H,245,314)(H,246,316)(H,247,315)(H,248,317)(H,250,296)(H,251,318)(H,252,297)(H,253,327)(H,254,332)(H,255,319)(H,256,323)(H,257,324)(H,258,326)(H,259,322)(H,260,338)(H,261,339)(H,262,321)(H,263,329)(H,264,328)(H,265,325)(H,266,320)(H,267,340)(H,268,333)(H,269,336)(H,270,334)(H,271,335)(H,272,337)(H,273,341)(H,274,298)(H,275,313)(H,276,330)(H,277,331)(H,300,301)(H,302,303)(H,304,305)(H,306,307)(H,308,309)(H,310,311)(H4,237,238,242)/t122-,123+,124+,125-,126-,127+,128+,132+,133+,135+,136+,138-,139-,140+,141+,142-,143-,144-,145-,146-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,190-,191-,192-,193-,229-,230-,231+,232+/m0/s1
InChiKey PSVRFNBQUSOTEU-MDFYKAMTSA-N
Formula C232H357N49O65S Molecular Weight 4904.67
Cross Link CHEMBL1092709
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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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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