BioLiP

PDB

BioLiP

PDB CCD ID:

A1L1D

Number of entries in BioLiP:

Chemical formula:

C26 H27 N3 O4

InChI:

InChI=1S/C26H27N3O4/c1-3-4-17-33-21-15-11-19(12-16-21)25(30)28-29-24(18-9-13-20(32-2)14-10-18)27-23-8-6-5-7-22(23)26(29)31/h5-16,24,27H,3-4,17H2,1-2H3,(H,28,30)/t24-/m1/s1

InChIKey:

XORVAHQXRDLSFT-XMMPIXPASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCOc1ccc(cc1)C(=O)NN2[C@@H](Nc3ccccc3C2=O)c4ccc(cc4)OC
CACTVS 3.385	CCCCOc1ccc(cc1)C(=O)NN2[C@@H](Nc3ccccc3C2=O)c4ccc(OC)cc4
OpenEye OEToolkits 2.0.7	CCCCOc1ccc(cc1)C(=O)NN2C(Nc3ccccc3C2=O)c4ccc(cc4)OC
CACTVS 3.385	CCCCOc1ccc(cc1)C(=O)NN2[CH](Nc3ccccc3C2=O)c4ccc(OC)cc4

Name:

C1R;
4-butoxy-~{N}-[(2~{R})-2-(4-methoxyphenyl)-4-oxidanylidene-1,2-dihydroquinazolin-3-yl]benzamide;
Quin C1

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).