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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03764959

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0CO(1S,3R,5Z,7E,14beta,17alpha,23R)-
23-(2-hydroxy-2-methylpropyl)-20,24-
epoxy-9,10-secochola-5,7,10-triene-
1,3-diol
A3CS60.71
C0RCORTICOSTERONEA2A3I0.82
C0RCORTICOSTERONEA,B1Y5R0.82
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A2ZB40.71
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID
A,B1V3V0.71
114COMPACTINA,B,C,D1HW80.74
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.75
BIV21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-
TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-
4-METHYLPENTYL)-, (1A,3B,5Z,7E)
A2HCD0.73
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.74
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.74
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.77
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.77
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.77
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.82
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.89
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.89
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.89
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.89
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.89
CBOCARBENOXOLONEA,B,C,D1HDC0.8
CBOCARBENOXOLONEA,B,C,D2BEL0.8
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.83
C332ALPHA-PROPYL-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAM0.73
0ASasiatic acidA2QN10.83
2OBCHOLESTERYL OLEATEA2OBD0.86
AS4ALDOSTERONEA2AA20.81
AS4ALDOSTERONEA2Q1H0.81
803LOVASTATINA,B1CQP0.76
C3O2ALPHA-PROPOXY-1ALPHA,25-DIHYDROXYVITAMIN D3A2HAS0.7
1CADESOXYCORTICOSTERONEA,B1Y9R0.82
1CADESOXYCORTICOSTERONEA,B,C2ABI0.82
1CADESOXYCORTICOSTERONEA2Q3Y0.82
1CADESOXYCORTICOSTERONEA2AA70.82
0MAmaslinic acidA2QN20.83