BioLiP

PDB

BioLiP

PDB CCD ID:

KCT

Number of entries in BioLiP:

Chemical formula:

C21 H13 N3 O3

InChI:

InChI=1S/C21H13N3O3/c25-20-16-14-10-6-2-4-8-12(10)23-18(14)17-13(15(16)19(24-20)21(26)27)9-5-1-3-7-11(9)22-17/h1-8,19,22-23H,(H,24,25)(H,26,27)/t19-/m0/s1

InChIKey:

LYSTWLDKIFYXOG-IBGZPJMESA-N

SMILES:

Software	SMILES
CACTVS 3.370	OC(=O)[CH]1NC(=O)c2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)N[C@@H]4C(=O)O
ACDLabs 12.01	O=C(O)C6c5c2c1ccccc1nc2c4nc3ccccc3c4c5C(=O)N6
CACTVS 3.370	OC(=O)[C@H]1NC(=O)c2c1c3c([nH]c4ccccc34)c5[nH]c6ccccc6c25
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)c3c4c(c5c6ccccc6[nH]c5c3[nH]2)C(=O)NC4C(=O)O

Name:

(5S)-7-oxo-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5-carboxylic acid

ZINC:

ZINC000085591858

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).