BioLiP

PDB

BioLiP

PDB CCD ID:

FOI

Number of entries in BioLiP:

Chemical formula:

C18 H15 N3 O4

InChI:

InChI=1S/C18H15N3O4/c1-24-18(22)17-16(13-6-7-19-9-15(13)25-17)20-11-3-4-12-10(8-11)2-5-14(12)21-23/h2-9,11,20-21,23H,1H3/t11-/m0/s1

InChIKey:

JUENRCGOCJWDSD-NSHDSACASA-N

SMILES:

Software	SMILES
CACTVS 3.370	COC(=O)c1oc2cnccc2c1N[CH]3C=CC4=C(NO)C=CC4=C3
CACTVS 3.370	COC(=O)c1oc2cnccc2c1N[C@H]3C=CC4=C(NO)C=CC4=C3
ACDLabs 12.01	O=C(OC)c2oc1cnccc1c2NC4C=CC3=C(NO)C=CC3=C4
OpenEye OEToolkits 1.7.0	COC(=O)c1c(c2ccncc2o1)NC3C=CC4=C(C=CC4=C3)NO

Name:

methyl 3-{[(5S)-1-(hydroxyamino)-5H-inden-5-yl]amino}furo[2,3-c]pyridine-2-carboxylate;
(E)-methyl 3-(1-(hydroxyimino)-2,3-dihydro-1H-inden-5-ylamino)furo[2,3-c]pyridine-2-carboxylate

ZINC:

ZINC000064746572

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).