BioLiP

PDB

BioLiP

PDB CCD ID:

361

Number of entries in BioLiP:

Chemical formula:

C16 H13 F3 N4

InChI:

InChI=1S/C16H13F3N4/c17-10-5-12(19)11(18)3-8(10)9-4-16-22-14-6-21-2-1-15(14)23(16)7-13(9)20/h1-3,5-6,9,13H,4,7,20H2/t9-,13+/m1/s1

InChIKey:

SOSYXEPELJIJHZ-RNCFNFMXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cncc2c1n3c(n2)C[C@@H]([C@H](C3)N)c4cc(c(cc4F)F)F
ACDLabs 10.04	Fc1cc(c(F)cc1F)C4Cc3nc2cnccc2n3CC4N
OpenEye OEToolkits 1.5.0	c1cncc2c1n3c(n2)CC(C(C3)N)c4cc(c(cc4F)F)F
CACTVS 3.341	N[C@H]1Cn2c(C[C@@H]1c3cc(F)c(F)cc3F)nc4cnccc24
CACTVS 3.341	N[CH]1Cn2c(C[CH]1c3cc(F)c(F)cc3F)nc4cnccc24

Name:

(7R,8R)-8-(2,4,5-trifluorophenyl)-6,7,8,9-tetrahydroimidazo[1,2-a:4,5-c']dipyridin-7-amine

ChEMBL:

CHEMBL1194345

DrugBank:

DB07021

ZINC:

ZINC000034809220

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).