BioLiP

PDB

BioLiP

PDB CCD ID:

C4R

Number of entries in BioLiP:

Chemical formula:

C10 H14 N O2 Rh S

InChI:

InChI=1S/C10H13NO2S.Rh/c11-8(10(12)13)5-14-9-6-1-2-7(9)4-3-6;/h6-9H,1-2,5,11H2,(H,12,13);/p+1/t6-,7+,8-,9+;/m0./s1

InChIKey:

HXNBRNQPOJLSEY-NPPHLGRCSA-O

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C[C@H]2C3[C@@H]1C4=C2[Rh+]4S3C[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](C[SH]1C2[CH]3CC[CH]2C4=C3[Rh+]14)C(O)=O
OpenEye OEToolkits 2.0.7	C1CC2C3C1C4=C2[Rh+]4S3CC(C(=O)O)N
CACTVS 3.385	N[C@@H](C[SH]1C2[C@@H]3CC[C@H]2C4=C3[Rh+]14)C(O)=O

Name:

(R)-2-amino-3-(bicyclo[2.2.1]hepta-2,5-dien-7-ylthio)propanoic acid rhodium;
(bicyclo [2.2.1] hepta-2-ene)-cystein rhodium

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).