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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004532

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3TN(2E)-3-[4-HYDROXY-3-(3-METHOXY-
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-
2-YL)PHENYL]ACRYLIC ACID
A2P1T0.7
6676-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN-
3-O-SULFAMATE
A1TTM0.77
2LP2-ALLYLPHENOLA1OV50.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.82
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.73
3002-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATEA1O410.71
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.7
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.79
4HP4-HYDROXYPHENYLACETATEA2YYJ0.79
4HP4-HYDROXYPHENYLACETATEA2YYM0.79
4HP4-HYDROXYPHENYLACETATEB1AI60.79
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.79
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.74
4MU7-hydroxy-4-methyl-2H-chromen-2-
one
A,B3ETS0.77
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.71
3HB3-HYDROXYBENZOIC ACIDA2DKH0.71
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.73
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IME0.74
2C2(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACIDA2IMD0.74
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL
A,B1U9E0.7
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.73
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID
A2Q940.7
3MB3-METHOXYBENZAMIDEA3PAX0.73
4HC4-HYDROXY-2H-CHROMEN-2-ONEA,B1V5Y0.74
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIT0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ10.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PIU0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2PKL0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B3D570.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ20.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A2QPY0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NQ00.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A1NUO0.77
4HY[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-
DIIODO-PHENYL]-ACETIC ACID
A,B2PIN0.77
34C(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACIDA,B1HT80.77