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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02839008

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.71
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.8
34D3,5-DIHYDROXYBENZOATEA,B2BX70.72
2MP3,4-DIMETHYLPHENOLA1L5O0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.7
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.7
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.7
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.7
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.7
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.7
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.7
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.7
2PB2-[(DIOXIDOPHOSPHINO)OXY]BENZOATEA1SDE0.7
2BR2-BROMOPHENOLA,B,C,D2A9W0.76
2LP2-ALLYLPHENOLA1OV50.71
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.74
3HB3-HYDROXYBENZOIC ACIDA2DKH0.74
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
CRSM-CRESOLA,B,C,D1EV30.7
CRSM-CRESOLA,B,C,D,E,F2OMG0.7
CRSM-CRESOLA,B1UZ90.7
CRSM-CRESOLA,B,C,D1ZEH0.7
CRSM-CRESOLA,B,C,D,E,F1ZEI0.7
CRSM-CRESOLA,C,D,E7INS0.7
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.7
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.71
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.71
DBY3,5 DIBROMOTYROSINEC,D1EBA0.73
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5A0.7
BIK3,7-DIHYDROXY-2-NAPHTHOIC ACIDA1U5C0.7
BML4-BROMOPHENOLA,B,E3DHH0.74
BML4-BROMOPHENOLA,B1XU30.74
BML4-BROMOPHENOLA,B1T0S0.74
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.76
4HP4-HYDROXYPHENYLACETATEA2YYJ0.76
4HP4-HYDROXYPHENYLACETATEA2YYM0.76
4HP4-HYDROXYPHENYLACETATEB1AI60.76
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.76
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.72
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.72