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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL2370917
Molecular formula	C183H307N51O53
IUPAC name	(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-2,4-dimethylpentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-5-[[(3R,6S,9S,18R)-18-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-2,4-dimethyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-3,6-bis(3-amino-3-oxopropyl)-2,5,8,12-tetraoxo-1,4,7,13-tetrazacyclooctadec-9-yl]amino]-5-oxopentanoic acid
Molecular weight	4069.77
Hydrogen bond acceptor	59
Hydrogen bond donor	55
XlogP	-14.4
Synonyms	BDBM50026946
Inchi Key	IQJNGBXKROFQRM-FUSSUSNNSA-N
Inchi ID	InChI=1S/C183H307N51O53/c1-26-30-46-105(204-150(258)107(47-34-38-69-184)206-153(261)110(51-42-73-199-180(193)194)209-168(276)124(79-95(13)14)229-178(286)182(24,86-96(15)16)233-174(282)126(81-104-88-197-90-201-104)225-169(277)125(80-103-44-32-31-33-45-103)224-173(281)131(89-235)228-167(275)123(78-94(11)12)223-172(280)129(84-142(251)252)203-102(23)236)162(270)230-145(99(20)28-3)177(285)218-119(60-68-141(249)250)163(271)231-146(100(21)29-4)176(284)217-118(59-67-140(247)248)161(269)208-108(48-35-39-70-185)151(259)211-113(54-62-133(188)238)157(265)216-116(57-65-138(243)244)159(267)207-109(49-36-40-71-186)152(260)215-117(58-66-139(245)246)160(268)214-115-56-64-137(242)198-72-41-37-50-106(205-155(263)112(53-61-132(187)237)212-156(264)114(213-158(115)266)55-63-134(189)239)149(257)202-101(22)148(256)219-127(82-135(190)240)171(279)226-128(83-136(191)241)170(278)210-111(52-43-74-200-181(195)196)154(262)220-120(75-91(5)6)164(272)221-121(76-92(7)8)165(273)222-122(77-93(9)10)166(274)227-130(85-143(253)254)175(283)234-183(25,87-97(17)18)179(287)232-144(147(192)255)98(19)27-2/h31-33,44-45,88,90-101,105-131,144-146,235H,26-30,34-43,46-87,89,184-186H2,1-25H3,(H2,187,237)(H2,188,238)(H2,189,239)(H2,190,240)(H2,191,241)(H2,192,255)(H,197,201)(H,198,242)(H,202,257)(H,203,236)(H,204,258)(H,205,263)(H,206,261)(H,207,267)(H,208,269)(H,209,276)(H,210,278)(H,211,259)(H,212,264)(H,213,266)(H,214,268)(H,215,260)(H,216,265)(H,217,284)(H,218,285)(H,219,256)(H,220,262)(H,221,272)(H,222,273)(H,223,280)(H,224,281)(H,225,277)(H,226,279)(H,227,274)(H,228,275)(H,229,286)(H,230,270)(H,231,271)(H,232,287)(H,233,282)(H,234,283)(H,243,244)(H,245,246)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H4,193,194,199)(H4,195,196,200)/t98-,99-,100-,101-,105-,106+,107-,108-,109-,110-,111-,112+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125+,126-,127-,128-,129-,130-,131-,144-,145-,146-,182-,183-/m0/s1
PubChem CID	73350131
ChEMBL	CHEMBL2370917
IUPHAR	N/A
BindingDB	50026946
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
139345	Corticotropin-releasing factor receptor 1	P34998	CRHR1	Homo sapiens (Human)	444
139344	Corticotropin-releasing factor receptor 2	Q13324	CRHR2	Homo sapiens (Human)	411

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