BioLiP

PDB

BioLiP

PDB CCD ID:

VI0

Number of entries in BioLiP:

Chemical formula:

C18 H16 N4

InChI:

InChI=1S/C18H16N4/c19-18-20-11-14-10-13-8-4-5-9-15(13)16(21-17(14)22-18)12-6-2-1-3-7-12/h1-9,11,16H,10H2,(H3,19,20,21,22)/t16-/m0/s1

InChIKey:

CBDFYHHMMDZBDU-INIZCTEOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)[C@H]2c3ccccc3Cc4cnc(nc4N2)N
CACTVS 3.385	Nc1ncc2Cc3ccccc3[CH](Nc2n1)c4ccccc4
ACDLabs 12.01	Nc1nc2NC(c3ccccc3Cc2cn1)c1ccccc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C2c3ccccc3Cc4cnc(nc4N2)N
CACTVS 3.385	Nc1ncc2Cc3ccccc3[C@@H](Nc2n1)c4ccccc4

Name:

(10S)-10-phenyl-10,11-dihydro-5H-pyrimido[4,5-c][2]benzazepin-2-amine

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).