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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02238343

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
12M(2-ETHYLPHENYL)METHANOLA,B2F620.83
MBNTOLUENEA,B3D7O0.7
MBNTOLUENEA,B1R1X0.7
MBNTOLUENEA,B1JLX0.7
MBNTOLUENEA,B,C,D3D170.7
MBNTOLUENEA,B2VRL0.7
MBNTOLUENEA,I2Z3E0.7
MBNTOLUENEA,B1YZI0.7
MBNTOLUENEA,B2DN10.7
MBNTOLUENEA,B3EN10.7
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.78
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.74
FPRPROPYLBENZENEC1RHK0.73
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.78
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.78
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.78
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
1VQ60.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA,B1C1X0.73
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
1VQP0.73
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
1VQN0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1QRP0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDA2CTC0.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E820.73
HFAALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACIDI1E810.73
B08A,B2E990.72
BDBA,B1KE30.74
1LPTRANYLCYPROMINEA,B1OJB0.71
OXEORTHO-XYLENEA,B3E0X0.73
OXEORTHO-XYLENEA188L0.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.73
EYK2-tert-butylbenzene-1,4-diolB3EYK0.73
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.74
341(3,5-difluorophenyl)methanolC3EON0.73
CLT4-PHENYL-BUTANOIC ACIDA1THL0.75
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.75
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.75
EPTHEPTANYL-P-PHENOLA,B1AHZ0.73
5PV5-PHENYLVALERIC ACIDA,B2AY90.77
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.7
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.72
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.72
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.72
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.72
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.76
SS2(1R)-1-PHENYLETHANOLA1ZK00.81
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.81
SS2(1R)-1-PHENYLETHANOLA1ZJY0.81
M5P(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACIDA,B2YZ30.73
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZSF0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A1JLD0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDA0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B1IDB0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1Z8C0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZBG0.74
PR03(S)-AMINO-4-PHENYL-BUTAN-2(R)-
OL
A,B,I1ZPK0.74
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.72
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.72
2NAnaphthalen-2-ylmethanolA,B,C3EE50.74
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.71
PEL2-PHENYL-ETHANOLA,B1I0D0.87
PEL2-PHENYL-ETHANOLD,H2I0T0.87
PEL2-PHENYL-ETHANOLA,B1HZY0.87
PEL2-PHENYL-ETHANOLA,B1I0B0.87
PEL2-PHENYL-ETHANOLA1EYW0.87
PEL2-PHENYL-ETHANOLA,B1JGM0.87
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.84
TBC(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENEA1N8C0.71
HPHPHENYLALANINDIOLI1E5O0.73
HPHPHENYLALANINDIOLA,B1ODX0.73
HPHPHENYLALANINDIOLA,B1MTB0.73
HPHPHENYLALANINDIOLA,B2FGV0.73
HPHPHENYLALANINDIOLA1ODW0.73
HPHPHENYLALANINDIOLA,B2FGU0.73
HPHPHENYLALANINDIOLA,B1HXB0.73
RSOR-STYRENE OXIDEA,B1PWZ0.7
I4BISOBUTYLBENZENEA184L0.73
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1ZSR0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZJ70.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1ZLF0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEG0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1FQX0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
A,B,I1IIQ0.74
PS03(S)-AMINO-4-PHENYL-BUTAN-2(S)-
OL
I1HEF0.74
ARL7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA-
2,4,6-TRIENOIC ACID
A1NQ70.75
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.73
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
PXYPARA-XYLENEA187L0.71
PXYPARA-XYLENEA225L0.71
PYLPHENYLETHANEC1B070.73
PYLPHENYLETHANEA,B2VRM0.73
PYLPHENYLETHANEA1NHB0.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.73
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.7
FLPFLURBIPROFENA,B,C,D3PGH0.71
FLPFLURBIPROFENA,B1CQE0.71
FLPFLURBIPROFENA,B1EQH0.71
FLPFLURBIPROFENA,B2AYL0.71
FLPFLURBIPROFENA1DVT0.71
FLPFLURBIPROFENA1R9O0.71
DFADIPHENYLACETIC ACIDA,B,C1GMY0.73
7912-PHENYLMALONIC ACIDA1O4P0.71
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.74
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.74
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.73
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.72
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.72
SS11-PHENYLETHANOLH1UM50.81
OBZO-benzylhydroxylamineA,B3DTH0.72
OBZO-benzylhydroxylamineA,B3DTG0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
R133-METHYL-7-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-
YL) -OCTA-2,4,6-TRIENOIC ACID
A2CBS0.71
N4BN-BUTYLBENZENEA186L0.73
PAC2-PHENYLACETIC ACIDB1PNL0.74
PAC2-PHENYLACETIC ACIDB1K5Q0.74
PAC2-PHENYLACETIC ACIDB1FXH0.74
PAC2-PHENYLACETIC ACIDA2ISF0.74
PAC2-PHENYLACETIC ACIDA2INE0.74
BFLA,B1Q4G0.73
HCIHYDROCINNAMIC ACIDA,B1BXG0.76
HCIHYDROCINNAMIC ACIDA,B1TOG0.76
HCIHYDROCINNAMIC ACIDA,B1V2F0.76
HCIHYDROCINNAMIC ACIDA,B1AHX0.76
HCIHYDROCINNAMIC ACIDA1TOI0.76
HCIHYDROCINNAMIC ACIDA,B1AY80.76
HCIHYDROCINNAMIC ACIDA1TOJ0.76
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.8
IBPIBUPROFENA3FKX0.76
IBPIBUPROFENA,B2BXG0.76
IBPIBUPROFENA,B1EQG0.76
IBPIBUPROFENA,B,C2WD90.76
IBPIBUPROFENA2PWS0.76
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.8
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.76
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.76
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.71
B28A,B2E9A0.71
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.76
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.74
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.84
BZSL-BENZYLSUCCINIC ACIDA1CBX0.72
BZSL-BENZYLSUCCINIC ACIDA1HYT0.72
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.72
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.75
MNN(S)-MANDELIC ACID NITRILEA1YB60.73
I59HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACIDA1O4G0.7
PHLL-PHENYLALANINOLA,B1JOH0.74
PHLL-PHENYLALANINOLI3APR0.74
PHLL-PHENYLALANINOLA1DLZ0.74
PHLL-PHENYLALANINOLA1IH90.74
PHLL-PHENYLALANINOLA1OB40.74
PHLL-PHENYLALANINOLI2ER60.74
PHLL-PHENYLALANINOLA1R9U0.74
PHLL-PHENYLALANINOLA1OB70.74
PHLL-PHENYLALANINOLA,B1OB60.74
PHLL-PHENYLALANINOLA,B,C1AMT0.74