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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02253444

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.71
4PH4-methyl-L-phenylalanineB,C3BV90.7
173BENZOYL-FORMIC ACIDA,B1SZE0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.86
1LPTRANYLCYPROMINEA,B1OJB0.71
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.74
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.71
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.72
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.72
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.7
4MA4-METHYLBENZOIC ACIDA,H2HRG0.73
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.7
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.75
APD3-METHYLPHENYLALANINEA,B,C1GMY0.7
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.71
4HP4-HYDROXYPHENYLACETATEA2YYJ0.71
4HP4-HYDROXYPHENYLACETATEA2YYM0.71
4HP4-HYDROXYPHENYLACETATEB1AI60.71
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.71
2BL(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-
L-aspartic acid
A1BTU0.7
4CB4-CARBOXYPHENYLBORONIC ACIDA,B1KDW0.75
7912-PHENYLMALONIC ACIDA1O4P0.81
3PL3-PHENYLPROPANALE1Y3G0.73
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.72
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.72
24I(2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACIDA2C6C0.8