BioLiP

PDB

BioLiP

PDB CCD ID:

U45

Number of entries in BioLiP:

Chemical formula:

C24 H20 N4 O3

InChI:

InChI=1S/C24H20N4O3/c25-23(30)22-18-9-1-2-10-19(18)24(31)28(26-22)14-15(29)13-27-20-11-5-3-7-16(20)17-8-4-6-12-21(17)27/h1-12,15,29H,13-14H2,(H2,25,30)/t15-/m1/s1

InChIKey:

GAPCICIYPZRQFH-OAHLLOKOSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NC(=O)C1=NN(C[C@H](O)Cn2c3ccccc3c4ccccc24)C(=O)c5ccccc15
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c3ccccc3n2C[C@H](CN4C(=O)c5ccccc5C(=N4)C(=O)N)O
CACTVS 3.385	NC(=O)C1=NN(C[CH](O)Cn2c3ccccc3c4ccccc24)C(=O)c5ccccc15
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)c3ccccc3n2CC(CN4C(=O)c5ccccc5C(=N4)C(=O)N)O

Name:

3-[(2~{R})-3-carbazol-9-yl-2-oxidanyl-propyl]-4-oxidanylidene-phthalazine-1-carboxamide

ZINC:

ZINC000032909538

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).