BioLiP

PDB

BioLiP

PDB CCD ID:

VI4

Number of entries in BioLiP:

Chemical formula:

C26 H24 N4 O3

InChI:

InChI=1S/C26H24N4O3/c1-12-25(31)16(27)10-19(33-12)30-18-9-5-3-7-14(18)21-22-15(11-28-26(22)32)20-13-6-2-4-8-17(13)29-23(20)24(21)30/h2-9,12,16,19,25,29,31H,10-11,27H2,1H3,(H,28,32)/t12-,16+,19+,25-/m0/s1

InChIKey:

QNQXRLNOOGRQEB-FUJFFIKUSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH]1O[CH](C[CH](N)[CH]1O)n2c3ccccc3c4c2c5[nH]c6ccccc6c5c7CNC(=O)c47
CACTVS 3.385	C[C@@H]1O[C@H](C[C@@H](N)[C@H]1O)n2c3ccccc3c4c2c5[nH]c6ccccc6c5c7CNC(=O)c47
OpenEye OEToolkits 2.0.7	C[C@H]1[C@@H]([C@@H](C[C@@H](O1)n2c3ccccc3c4c2c5c(c6ccccc6[nH]5)c7c4C(=O)NC7)N)O
OpenEye OEToolkits 2.0.7	CC1C(C(CC(O1)n2c3ccccc3c4c2c5c(c6ccccc6[nH]5)c7c4C(=O)NC7)N)O

Name:

13-(3-Amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranosyl)-6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one

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).