BioLiP

PDB

BioLiP

PDB CCD ID:

7TC

Number of entries in BioLiP:

Chemical formula:

C11 H15 N O4

InChI:

InChI=1S/C11H15NO4/c1-5-6(2)10(11(15)16)12-9(5)8(4-13)7(3)14/h4-5,7-9,14H,2H2,1,3H3,(H,15,16)/t5-,7+,8+,9+/m0/s1

InChIKey:

GGYAWCWTCNLFOB-KDBVAPGDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@@H](O)[C@@H](C=O)[C@@H]1N=C(C(O)=O)C(=C)[C@@H]1C
CACTVS 3.385	C[CH](O)[CH](C=O)[CH]1N=C(C(O)=O)C(=C)[CH]1C
OpenEye OEToolkits 2.0.7	C[C@@H]1[C@@H](N=C(C1=C)C(=O)O)[C@H](C=O)[C@@H](C)O
OpenEye OEToolkits 2.0.7	CC1C(N=C(C1=C)C(=O)O)C(C=O)C(C)O

Name:

(2R,3S)-3-methyl-4-methylidene-2-[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydropyrrole-5-carboxylic acid

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).