BioLiP

PDB

BioLiP

PDB CCD ID:

QIL

Number of entries in BioLiP:

Chemical formula:

C7 H13 N O3

InChI:

InChI=1S/C7H13NO3/c1-3-5(2)6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t5-,6-/m0/s1

InChIKey:

IONXXIKCTQHZNC-WDSKDSINSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	CCC(C)C(C(=O)O)NC=O
ACDLabs 12.01	O=CNC(C(=O)O)C(CC)C
OpenEye OEToolkits 1.7.2	CC[C@H](C)[C@@H](C(=O)O)NC=O
CACTVS 3.370	CC[CH](C)[CH](NC=O)C(O)=O
CACTVS 3.370	CC[C@H](C)[C@H](NC=O)C(O)=O

Name:

N-formyl-L-isoleucine

ZINC:

ZINC000001576287

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).