BioLiP

PDB

BioLiP

PDB CCD ID:

EHD

Number of entries in BioLiP:

Chemical formula:

C20 H16 N2 O4

InChI:

InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1

InChIKey:

VSJKWCGYPAHWDS-FQEVSTJZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCC1(C2=C(COC1=O)C(=O)N3Cc4cc5ccccc5nc4C3=C2)O
OpenEye OEToolkits 1.5.0	CC[C@@]1(C2=C(COC1=O)C(=O)N3Cc4cc5ccccc5nc4C3=C2)O
CACTVS 3.341	CC[C]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O
CACTVS 3.341	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5ccccc5nc34)C2=O
ACDLabs 10.04	O=C1N4C(=CC2=C1COC(=O)C2(O)CC)c3nc5c(cc3C4)cccc5

Name:

4-ETHYL-4-HYDROXY-1,12-DIHYDRO-4H-2-OXA-6,12A-DIAZA-DIBENZO[B,H]FLUORENE-3,13-DIONE;
CAMPTOTHECIN

ChEMBL:

CHEMBL65

DrugBank:

DB04690

ZINC:

ZINC000000105309

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).