BioLiP

PDB

BioLiP

PDB CCD ID:

QQG

Number of entries in BioLiP:

Chemical formula:

C21 H25 N3 O2

InChI:

InChI=1S/C21H25N3O2/c1-23-15-21(18-4-2-3-5-19(18)23)10-12-24(13-11-21)14-16-6-8-17(9-7-16)20(25)22-26/h2-9,26H,10-15H2,1H3,(H,22,25)

InChIKey:

KRAFQDJIYXJLQM-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	C4C1(c2c(N(C1)C)cccc2)CCN(Cc3ccc(cc3)C(NO)=O)C4
CACTVS 3.385	CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4ccccc14
OpenEye OEToolkits 2.0.7	CN1CC2(CCN(CC2)Cc3ccc(cc3)C(=O)NO)c4c1cccc4

Name:

N-hydroxy-4-[(1-methyl-1,2-dihydro-1'H-spiro[indole-3,4'-piperidin]-1'-yl)methyl]benzamide

ChEMBL:

CHEMBL4790744

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).