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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02253798

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
APD3-METHYLPHENYLALANINEA,B,C1GMY0.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.74
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.74
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.71
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.72
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.72
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.72
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.75
173BENZOYL-FORMIC ACIDA,B1SZE0.72
7912-PHENYLMALONIC ACIDA1O4P0.79
4PH4-methyl-L-phenylalanineB,C3BV90.71
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.81
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.81
26CA,B2F7I0.73
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.71
4MA4-METHYLBENZOIC ACIDA,H2HRG0.74
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.8
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.71
1LPTRANYLCYPROMINEA,B1OJB0.73
BFLA,B1Q4G0.85
4FCA1YSG0.73
5PV5-PHENYLVALERIC ACIDA,B2AY90.82
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.84