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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02900945

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.71
BGGCARBONIC ACID MONOBENZYL ESTERB,D1DLK0.74
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
1VQ60.73
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
DENINDENEA183L0.75
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.87
12M(2-ETHYLPHENYL)METHANOLA,B2F620.82
ETY4-ethylphenolA,B,C,D2RA60.71
RSOR-STYRENE OXIDEA,B1PWZ0.73
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.73
NDH(1R, 2S)-CIS 1,2 DIHYDROXY-1,2-
DIHYDRONAPHTHALENE
A,B1O7P0.74
2NAnaphthalen-2-ylmethanolA,B,C3EE50.72
PPY3-PHENYLPYRUVIC ACIDA,B2Q5O0.72
PPY3-PHENYLPYRUVIC ACIDA,B1LCO0.72
PPY3-PHENYLPYRUVIC ACIDA,B,C,D,E,F2ZF40.72
PPY3-PHENYLPYRUVIC ACIDA,B1BW90.72
PHQFORMIC ACID BENZYL ESTERA,I2F4O0.72
PHQFORMIC ACID BENZYL ESTERA1KJO0.72
PHQFORMIC ACID BENZYL ESTERI2CDR0.72
PHQFORMIC ACID BENZYL ESTERI2C1E0.72
PHQFORMIC ACID BENZYL ESTERI5PAD0.72
PHQFORMIC ACID BENZYL ESTERE,F1JXQ0.72
PHQFORMIC ACID BENZYL ESTERA2CNO0.72
PHQFORMIC ACID BENZYL ESTERA,B1CGL0.72
PHQFORMIC ACID BENZYL ESTERI2AZ90.72
PHQFORMIC ACID BENZYL ESTERI2C2K0.72
PHQFORMIC ACID BENZYL ESTERA,I2CNL0.72
PHQFORMIC ACID BENZYL ESTERA1KJP0.72
PHQFORMIC ACID BENZYL ESTERI2C2M0.72
PHQFORMIC ACID BENZYL ESTERI2AZB0.72
PHQFORMIC ACID BENZYL ESTERA9HVP0.72
PHQFORMIC ACID BENZYL ESTERA1ESB0.72
PHQFORMIC ACID BENZYL ESTERE,F1DY80.72
PHQFORMIC ACID BENZYL ESTERE,I1PPM0.72
PHQFORMIC ACID BENZYL ESTERI1GEC0.72
PHQFORMIC ACID BENZYL ESTERA1KS70.72
PHQFORMIC ACID BENZYL ESTERC1A8G0.72
PHQFORMIC ACID BENZYL ESTERA1KKK0.72
PHQFORMIC ACID BENZYL ESTERT,U,V,W,X,Y1QDU0.72
PHQFORMIC ACID BENZYL ESTERE,I4TMN0.72
PHQFORMIC ACID BENZYL ESTERE,I5TMN0.72
PHQFORMIC ACID BENZYL ESTERA1KTO0.72
PHQFORMIC ACID BENZYL ESTERA,C1TG10.72
PHQFORMIC ACID BENZYL ESTERI2AZ80.72
PHQFORMIC ACID BENZYL ESTERA,B2G580.72
PHQFORMIC ACID BENZYL ESTERQ,R,S,T,U,V1F9E0.72
PHQFORMIC ACID BENZYL ESTERI2CJY0.72
PHQFORMIC ACID BENZYL ESTERA,I1E8M0.72
PHQFORMIC ACID BENZYL ESTERA1KR60.72
PHQFORMIC ACID BENZYL ESTERE,I6TMN0.72
PHQFORMIC ACID BENZYL ESTERA1KRO0.72
PHQFORMIC ACID BENZYL ESTERI2CNN0.72
PHQFORMIC ACID BENZYL ESTERI2C2O0.72
PHQFORMIC ACID BENZYL ESTERA,B1SQZ0.72
PHQFORMIC ACID BENZYL ESTERA,B1THE0.72
PHQFORMIC ACID BENZYL ESTERI,J2AZC0.72
PHQFORMIC ACID BENZYL ESTERE,I5EST0.72
PHQFORMIC ACID BENZYL ESTERI2CNK0.72
PHQFORMIC ACID BENZYL ESTERA1KL60.72
PHQFORMIC ACID BENZYL ESTERI6PAD0.72
PHQFORMIC ACID BENZYL ESTERB,I2C2Z0.72
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
PA0Phenylarsine oxideA3E3Z0.71
PYLPHENYLETHANEC1B070.81
PYLPHENYLETHANEA,B2VRM0.81
PYLPHENYLETHANEA1NHB0.81
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
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.76
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.75
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.75
NPYNAPHTHALENEA,B1O7G0.72
PPP3-PHENYL-1,2-PROPANDIOLA,B1HRN0.85
KPV5-PHENYL-2-KETO-VALERIC ACIDA,B2Q5Q0.72
269(1R)-3-chloro-1-phenylpropan-1-
ol
A2RBS0.76
2LP2-ALLYLPHENOLA1OV50.71
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.74
BDBA,B1KE30.77
SS2(1R)-1-PHENYLETHANOLA1ZK00.82
SS2(1R)-1-PHENYLETHANOLA1ZJZ0.82
SS2(1R)-1-PHENYLETHANOLA1ZJY0.82
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.77
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.77
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.77
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.77
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.77
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.77
GROR-2-PHENYL-PROPRIONIC ACIDB1K5S0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1KEC0.7
GROR-2-PHENYL-PROPRIONIC ACIDB1K7D0.7
BIP2-BENZYL-3-IODOPROPANOIC ACIDA,B,C,D1BAV0.72
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.8
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.7
HY1PHENYLACETALDEHYDED,H2I0S0.77
HY1PHENYLACETALDEHYDEA,B1D6Y0.77
HY1PHENYLACETALDEHYDEA,B1D6Z0.77
HY1PHENYLACETALDEHYDED,H2OK40.77
HY1PHENYLACETALDEHYDEA,B1D6U0.77
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
HPHPHENYLALANINDIOLI1E5O0.73
HPHPHENYLALANINDIOLA,B1ODX0.73
HPHPHENYLALANINDIOLA,B1MTB0.73
HPHPHENYLALANINDIOLA,B2FGV0.73
HPHPHENYLALANINDIOLA1ODW0.73
HPHPHENYLALANINDIOLA,B2FGU0.73
HPHPHENYLALANINDIOLA,B1HXB0.73
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.74
341(3,5-difluorophenyl)methanolC3EON0.78
N4BN-BUTYLBENZENEA186L0.81
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.74
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
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B1QV70.79
DFB2,3-DIFLUOROBENZYL ALCOHOLA,B,C,D1MG00.79
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.74
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
I4BISOBUTYLBENZENEA184L0.79
PRA3-PHENYLPROPYLAMINEA1TNK0.7
PRA3-PHENYLPROPYLAMINEM1UTL0.7
PBN4-PHENYLBUTYLAMINEA1TNI0.7
PBN4-PHENYLBUTYLAMINEA1UTP0.7
3PL3-PHENYLPROPANALE1Y3G0.78
MBNTOLUENEA,B3D7O0.81
MBNTOLUENEA,B1R1X0.81
MBNTOLUENEA,B1JLX0.81
MBNTOLUENEA,B,C,D3D170.81
MBNTOLUENEA,B2VRL0.81
MBNTOLUENEA,I2Z3E0.81
MBNTOLUENEA,B1YZI0.81
MBNTOLUENEA,B2DN10.81
MBNTOLUENEA,B3EN10.81
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPM0.7
OPH2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTERE,I1PPL0.7
PXYPARA-XYLENEA187L0.81
PXYPARA-XYLENEA225L0.81
5PV5-PHENYLVALERIC ACIDA,B2AY90.76
PBCPHENYL BORONIC ACIDA2A320.71
PBCPHENYL BORONIC ACIDA1JU30.71
PDH(2S)-2-AMINO-3-PHENYL-1-PROPANOLA1GQ00.77
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.76
OBZO-benzylhydroxylamineA,B3DTH0.77
OBZO-benzylhydroxylamineA,B3DTG0.77
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
MXN(2R)-hydroxy(phenyl)ethanenitrileA,B3GDN0.75
BRBPARA-BROMOBENZYL ALCOHOLA,B1HLD0.73
PAC2-PHENYLACETIC ACIDB1PNL0.74
PAC2-PHENYLACETIC ACIDB1K5Q0.74
PAC2-PHENYLACETIC ACIDB1FXH0.74
PAC2-PHENYLACETIC ACIDA2ISF0.74
PAC2-PHENYLACETIC ACIDA2INE0.74
PHLL-PHENYLALANINOLA,B1JOH0.77
PHLL-PHENYLALANINOLI3APR0.77
PHLL-PHENYLALANINOLA1DLZ0.77
PHLL-PHENYLALANINOLA1IH90.77
PHLL-PHENYLALANINOLA1OB40.77
PHLL-PHENYLALANINOLI2ER60.77
PHLL-PHENYLALANINOLA1R9U0.77
PHLL-PHENYLALANINOLA1OB70.77
PHLL-PHENYLALANINOLA,B1OB60.77
PHLL-PHENYLALANINOLA,B,C1AMT0.77
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.84
FPRPROPYLBENZENEC1RHK0.81
1LPTRANYLCYPROMINEA,B1OJB0.73
SS11-PHENYLETHANOLH1UM50.82
BZSL-BENZYLSUCCINIC ACIDA1CBX0.7
BZSL-BENZYLSUCCINIC ACIDA1HYT0.7
BZSL-BENZYLSUCCINIC ACIDA,B1WHT0.7
PEL2-PHENYL-ETHANOLA,B1I0D0.91
PEL2-PHENYL-ETHANOLD,H2I0T0.91
PEL2-PHENYL-ETHANOLA,B1HZY0.91
PEL2-PHENYL-ETHANOLA,B1I0B0.91
PEL2-PHENYL-ETHANOLA1EYW0.91
PEL2-PHENYL-ETHANOLA,B1JGM0.91
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.77
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.77
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.77
MNN(S)-MANDELIC ACID NITRILEA1YB60.75
2HT3-methylbenzonitrileA,B3F880.71
HBXbenzaldehydeA,B3GDN0.7
PMSBENZYLSULFINIC ACIDB1PNM0.73
PMSBENZYLSULFINIC ACIDA,B1SH70.73
PMSBENZYLSULFINIC ACIDB,C1BB00.73
PMSBENZYLSULFINIC ACIDA,B1S2N0.73
PMSBENZYLSULFINIC ACIDA,B1WB80.73
PMSBENZYLSULFINIC ACIDA,B,C3CE40.73
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.73
PMSBENZYLSULFINIC ACIDA3H180.73
PMSBENZYLSULFINIC ACIDA3H170.73
PMSBENZYLSULFINIC ACIDA2CBG0.73
PMSBENZYLSULFINIC ACIDA1SUP0.73
PMSBENZYLSULFINIC ACIDA,B1V6C0.73
PMSBENZYLSULFINIC ACIDA,B1WPR0.73
PMSBENZYLSULFINIC ACIDA,B1EQ90.73
PMSBENZYLSULFINIC ACIDA,B1AUR0.73
PMSBENZYLSULFINIC ACIDA1KLT0.73
PMSBENZYLSULFINIC ACIDB,C1CA80.73
PMSBENZYLSULFINIC ACIDA2GKO0.73
PMSBENZYLSULFINIC ACIDB,C,D1BA80.73
CLT4-PHENYL-BUTANOIC ACIDA1THL0.76
CLT4-PHENYL-BUTANOIC ACIDA,B2AY70.76
CLT4-PHENYL-BUTANOIC ACIDE,I1TMN0.76
24B(2,4-DIFLUOROPHENYL)METHANOLA,B1QV60.79
OXEORTHO-XYLENEA,B3E0X0.79
OXEORTHO-XYLENEA188L0.79
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.76