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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02875117

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.73
SMN(S)-MANDELIC ACIDA1MDL0.72
FL2FLURBIPROFEN METHYL ESTERA,B1HT50.72
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.71
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA1NX30.7
ISA3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACIDA,B1ALW0.7
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.71
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.71
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.8
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.8
FLPFLURBIPROFENA,B,C,D3PGH0.77
FLPFLURBIPROFENA,B1CQE0.77
FLPFLURBIPROFENA,B1EQH0.77
FLPFLURBIPROFENA,B2AYL0.77
FLPFLURBIPROFENA1DVT0.77
FLPFLURBIPROFENA1R9O0.77
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MRA0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MNS0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1DTN0.75
APGATROLACTIC ACID (2-PHENYL-LACTIC ACID)A1MDR0.75
IBPIBUPROFENA3FKX0.75
IBPIBUPROFENA,B2BXG0.75
IBPIBUPROFENA,B1EQG0.75
IBPIBUPROFENA,B,C2WD90.75
IBPIBUPROFENA2PWS0.75
5PV5-PHENYLVALERIC ACIDA,B2AY90.78
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.72
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.77
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.77
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.77
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.75
BFLA,B1Q4G0.79
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.77
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,5,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ60.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,3,4,9,A,
B,C,D,F,H,J,
K,L,M,N,O,Q,
R,S,T,U,Y,Z
1VQP0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID0,1,2,3,4,5,
9,A,B,C,D,F,
H,J,K,L,M,N,
O,Q,R,S,T,U,
Y,Z
1VQN0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.74
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.74
7912-PHENYLMALONIC ACIDA1O4P0.74
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.77
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.77
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.77
CLT4-PHENYL-BUTANOIC ACIDA1THL0.78
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.78
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.78
DFADIPHENYLACETIC ACIDA,B,C1GMY0.81
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.74
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.74
HCIHYDROCINNAMIC ACIDA,B1BXG0.77
HCIHYDROCINNAMIC ACIDA,B1TOG0.77
HCIHYDROCINNAMIC ACIDA,B1V2F0.77
HCIHYDROCINNAMIC ACIDA,B1AHX0.77
HCIHYDROCINNAMIC ACIDA1TOI0.77
HCIHYDROCINNAMIC ACIDA,B1AY80.77
HCIHYDROCINNAMIC ACIDA1TOJ0.77
BZSL-BENZYLSUCCINIC ACIDA1CBX0.75
BZSL-BENZYLSUCCINIC ACIDA1HYT0.75
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.75
4FCA1YSG0.72
4BF4-BROMO-L-PHENYLALANINEA2AG60.73
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.82
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.74
FBCA,B2B9A0.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.72
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.71
173BENZOYL-FORMIC ACIDA,B1SZE0.76
RMN(R)-MANDELIC ACIDA1MDL0.72
RMN(R)-MANDELIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.72
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.75
OSB2-SUCCINYLBENZOATEA1FHV0.73
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.73
OSB2-SUCCINYLBENZOATEA,B2QVH0.73
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B2OK90.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA,B1Z760.71
PBP1-(4-BROMO-PHENYL)-ETHANONEA1BK90.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.82
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.82
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.82
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.82
26CA,B2F7I0.72
PAC2-PHENYLACETIC ACIDB1PNL0.77
PAC2-PHENYLACETIC ACIDB1K5Q0.77
PAC2-PHENYLACETIC ACIDB1FXH0.77
PAC2-PHENYLACETIC ACIDA2ISF0.77
PAC2-PHENYLACETIC ACIDA2INE0.77
LJ33,5-dibromobiphenyl-4-olA,B3CN20.7