BioLiP

PDB

BioLiP

PDB CCD ID:

UNN

Number of entries in BioLiP:

Chemical formula:

C23 H19 F2 N3

InChI:

InChI=1S/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m0/s1

InChIKey:

WVGZKPGUHOZIJQ-HNNXBMFYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F
ACDLabs 10.04	Fc4cc1c(ncnc1NC(C)C(c2ccccc2)c3ccccc3)cc4F
CACTVS 3.341	C[C@H](Nc1ncnc2cc(F)c(F)cc12)C(c3ccccc3)c4ccccc4
OpenEye OEToolkits 1.5.0	C[C@@H](C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3)F)F
CACTVS 3.341	C[CH](Nc1ncnc2cc(F)c(F)cc12)C(c3ccccc3)c4ccccc4

Name:

(6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE

ChEMBL:

CHEMBL42632

DrugBank:

DB03678

ZINC:

ZINC000012503826

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).