BioLiP

PDB

BioLiP

PDB CCD ID:

A1AL8

Number of entries in BioLiP:

Chemical formula:

C16 H20 N2 O2

InChI:

InChI=1S/C16H20N2O2/c1-4-16(2,3)18-10-11(9-13(17)15(19)20)12-7-5-6-8-14(12)18/h4-8,10,13H,1,9,17H2,2-3H3,(H,19,20)/t13-/m0/s1

InChIKey:

LOCNLUOBLWSOIZ-ZDUSSCGKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(C=C)n1cc(c2c1cccc2)CC(C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)Cc1cn(c2ccccc21)C(C)(C)C=C
CACTVS 3.385	CC(C)(C=C)n1cc(C[CH](N)C(O)=O)c2ccccc12
OpenEye OEToolkits 2.0.7	CC(C)(C=C)n1cc(c2c1cccc2)C[C@@H](C(=O)O)N
CACTVS 3.385	CC(C)(C=C)n1cc(C[C@H](N)C(O)=O)c2ccccc12

Name:

1-(2-methylbut-3-en-2-yl)-L-tryptophan

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).