BioLiP

PDB

BioLiP

PDB CCD ID:

J9E

Number of entries in BioLiP:

Chemical formula:

C20 H24 F2 N2 O

InChI:

InChI=1S/C20H24F2N2O/c21-13-10-16(22)15-12-18(24-17(15)11-13)19(25)23-14-4-8-20(9-5-14)6-2-1-3-7-20/h10-12,14,24H,1-9H2,(H,23,25)

InChIKey:

FQMYGGFYZZTJBK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C(=O)(NC2CCC1(CCCCC1)CC2)c4cc3c(cc(cc3n4)F)F
OpenEye OEToolkits 2.0.6	c1c(cc(c2c1[nH]c(c2)C(=O)NC3CCC4(CCCCC4)CC3)F)F
CACTVS 3.385	Fc1cc(F)c2cc([nH]c2c1)C(=O)N[CH]3CC[C]4(CC[CH2]CC4)CC3

Name:

4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide

ChEMBL:

CHEMBL4564430

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).