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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03728227

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IBPIBUPROFENA3FKX0.73
IBPIBUPROFENA,B2BXG0.73
IBPIBUPROFENA,B1EQG0.73
IBPIBUPROFENA,B,C2WD90.73
IBPIBUPROFENA2PWS0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.73
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.73
173BENZOYL-FORMIC ACIDA,B1SZE0.75
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.7
7912-PHENYLMALONIC ACIDA1O4P0.72
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.7
NIU6,7,8,9-TETRAHYDRO-4-HYDROXY-3-
(1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN-
2-ONE
A6UPJ0.71
5PV5-PHENYLVALERIC ACIDA,B2AY90.72
HSI(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACIDA2Z2D0.87
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.72
1564-[3-OXO-3-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL)-PROPENYL]-BENZOIC ACID
A1FCZ0.7
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.71
1744-CHLORO-BENZOIC ACIDX3DLP0.74
1744-CHLORO-BENZOIC ACIDX1T5D0.74
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
1VQ60.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.7
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
1VQP0.7
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
1VQN0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.7
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.7
PAC2-PHENYLACETIC ACIDB1PNL0.71
PAC2-PHENYLACETIC ACIDB1K5Q0.71
PAC2-PHENYLACETIC ACIDB1FXH0.71
PAC2-PHENYLACETIC ACIDA2ISF0.71
PAC2-PHENYLACETIC ACIDA2INE0.71
BZSL-BENZYLSUCCINIC ACIDA1CBX0.76
BZSL-BENZYLSUCCINIC ACIDA1HYT0.76
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.76
CLT4-PHENYL-BUTANOIC ACIDA1THL0.72
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.72
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.72
3BZ3-chlorobenzoateX2QVZ0.75
3BZ3-chlorobenzoateX2QVX0.75
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.74
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.74
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.74
C1E(2Z,4E)-3-chloro-2-hydroxy-6-oxo-
6-phenylhexa-2,4-dienoic acid
A2RHT0.71
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.74
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.74
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.74
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.74
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IPW0.76
2CL(2,6-DICHLOROPHENYL)ACETIC ACIDA2IS70.76
HPK(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATEA2PUH0.71
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
AFI2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]-
3,4-DIHYDROXY-1(2H)-NAPHTHALENONE
A,B1UUM0.75
BFLA,B1Q4G0.73
UIN5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-
3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-
2-ONE
B5UPJ0.71
TRZTRAZEOLIDEA1C120.74
HCIHYDROCINNAMIC ACIDA,B1BXG0.71
HCIHYDROCINNAMIC ACIDA,B1TOG0.71
HCIHYDROCINNAMIC ACIDA,B1V2F0.71
HCIHYDROCINNAMIC ACIDA,B1AHX0.71
HCIHYDROCINNAMIC ACIDA1TOI0.71
HCIHYDROCINNAMIC ACIDA,B1AY80.71
HCIHYDROCINNAMIC ACIDA1TOJ0.71
ELI6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN-
2-YL)HEXANOIC ACID
A,B2GH50.77
34Z3,4-dichlorobenzoateX2QVY0.72
34Z3,4-dichlorobenzoateX2QW00.72
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.71
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.76
OSB2-SUCCINYLBENZOATEA1FHV0.74
OSB2-SUCCINYLBENZOATEA,B,C,D1SJB0.74
OSB2-SUCCINYLBENZOATEA,B2QVH0.74