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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02247620

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
9TA1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)-
ETHYLAMINO]-ANTHRAQUINONE
A,B1FDG0.72
1LPTRANYLCYPROMINEA,B1OJB0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.78
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.78
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.75
AC01-PHENYLETHANONEA1ZK10.71
AC01-PHENYLETHANONEA1ZK40.71
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.74
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.71
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.73
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.73
26CA,B2F7I0.74
7912-PHENYLMALONIC ACIDA1O4P0.81
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.72
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.73
173BENZOYL-FORMIC ACIDA,B1SZE0.79
5PV5-PHENYLVALERIC ACIDA,B2AY90.82
4MA4-METHYLBENZOIC ACIDA,H2HRG0.72
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.71
4FCA1YSG0.75