BioLiP

PDB

BioLiP

PDB CCD ID:

KLU

Number of entries in BioLiP:

Chemical formula:

C11 H11 Cl N2 O3

InChI:

InChI=1S/C11H11ClN2O3/c12-5-10(15)14-6-9(11(13)16)17-8-4-2-1-3-7(8)14/h1-4,9H,5-6H2,(H2,13,16)/t9-/m0/s1

InChIKey:

ARXMOGIPJRHYNG-VIFPVBQESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)N(CC(O2)C(=O)N)C(=O)CCl
CACTVS 3.385	NC(=O)[CH]1CN(C(=O)CCl)c2ccccc2O1
ACDLabs 12.01	ClCC(=O)N1CC(Oc2ccccc21)C(N)=O
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)N(C[C@H](O2)C(=O)N)C(=O)CCl
CACTVS 3.385	NC(=O)[C@@H]1CN(C(=O)CCl)c2ccccc2O1

Name:

(2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

ZINC:

ZINC000008939853

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).