Ligand name: (2~{R})-~{N}-[(2~{R})-6-azanyl-1-[[(2~{R})-1-[[(2~{R})-1-[[3-[1-[4-[(1~{S},2~{R},5~{S},7~{R},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-5-fluoranyl-9-methoxy-1,5,7,11,13-pentamethyl-4,6,12,16-tetrakis(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]butyl]-1,2,3-triazol-4-yl]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2~{R})-2-[[(2~{R})-2-[2-[[2,3-bis(oxidanyl)phenyl]carbonyl-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]amino]ethanoylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidine-2-carboxamide
PDB ligand accession: UK3
DrugBank: n/a
PubChem:
168354941
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ChEMBL: n/a
InChI Key: CELYJJFZBWFIMS-JTHPDSKOSA-N
SMILES: CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(C(CC(O3)C)N(C)C)O)OC)C)C)N(C(=O)O2)CCCCn4cc(nn4)c5cccc(c5)NC(=O)C(CCSC)NC(=O)C(Cc6ccc(cc6)O)NC(=O)C(CCCCN)NC(=O)C7CCCN7C(=O)C(CO)NC(=O)C(Cc8c[nH]c9c8cccc9)NC(=O)CN(CCCCNC(=O)c1cccc(c1O)O)C(=O)c1cccc(c1O)O)C