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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00100374

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HPEHOMOPHENYLALANINEA,B1B1H0.74
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.78
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.78
V36L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C1VGC0.71
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.74
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.72
APE(1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACIDE,I1SCN0.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.72
K7IL-alanyl-N-[(1S,2R)-1-benzyl-2-
hydroxypropyl]-L-alaninamide
A,B2QXG0.7
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.72
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.71
APLN-(1-BENZYL-3,3,3-TRIFLUORO-2,2-
DIHYDROXY-PROPYL)-ACETAMIDE
B,C1GG60.73
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.73
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.73
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.73
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.74
MEAN-METHYLPHENYLALANINEA2PIL0.79
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.79
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.79
HPHPHENYLALANINDIOLI1E5O0.7
HPHPHENYLALANINDIOLA,B1ODX0.7
HPHPHENYLALANINDIOLA,B1MTB0.7
HPHPHENYLALANINDIOLA,B2FGV0.7
HPHPHENYLALANINDIOLA1ODW0.7
HPHPHENYLALANINDIOLA,B2FGU0.7
HPHPHENYLALANINDIOLA,B1HXB0.7
RRT(R)-RETRO-THIORPHANE1Z9G0.72
PG9D-PHENYLGLYCINEA,B,G,H10GS0.72
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.72
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.75
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.75
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.76
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.71
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.75
R1F3-{[(2,2,5,5-TETRAMETHYL-1-OXO-
4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-
3-YL)METHYL]DISULFANYL}-D-ALANINE
A1ZUR0.71
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9R0.71
G27(3R,4R,5R)-5-(HYDROXYMETHYL)-1-
(3-PHENYLPROPYL)PIPERIDINE-3,4-
DIOL
A2G9U0.71
BCSBENZYLCYSTEINEA,B,G,H10GS0.71
BCSBENZYLCYSTEINEA1EH80.71
DPKDEPRENYLA,B2BYB0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.74
B2FPHENYLALANINE BORONIC ACIDA,P1P060.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.74
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.71
4PH4-methyl-L-phenylalanineB,C3BV90.73
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
FRFPHE-REDUCED-PHEA,I1GVX0.75
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.74
TPRTOSYL-D-PROLINEA1F4E0.72
IOYP-IODO-D-PHENYLALANINEA1XBU0.73
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.73
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.73
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.77
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.79
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.77
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.77
PHIIODO-PHENYLALANINEA1TF90.73
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.73
PHIIODO-PHENYLALANINEA1T6H0.73
PHIIODO-PHENYLALANINEA,B,C1NLU0.73
PHIIODO-PHENYLALANINEA,I1GA10.73
PHIIODO-PHENYLALANINEA,I1GA40.73
PHIIODO-PHENYLALANINEP1CZI0.73
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.7
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.7
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.7
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.7
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.7
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.71
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.73
DPND-PHENYLALANINEP1MCS0.76
DPND-PHENYLALANINEA1GOE0.76
DPND-PHENYLALANINEA2RM90.76
DPND-PHENYLALANINEA1SOC0.76
DPND-PHENYLALANINEB,C,E,F1SFQ0.76
DPND-PHENYLALANINEI1ABJ0.76
DPND-PHENYLALANINEP1DWE0.76
DPND-PHENYLALANINEI,M1HLT0.76
DPND-PHENYLALANINEA,H,L1J9C0.76
DPND-PHENYLALANINEI,T1TMB0.76
DPND-PHENYLALANINEA2JRY0.76
DPND-PHENYLALANINEA2SOC0.76
DPND-PHENYLALANINEA2YYF0.76
DPND-PHENYLALANINEI2HGT0.76
DPND-PHENYLALANINEA,D2Q3I0.76
DPND-PHENYLALANINEA,P1MCD0.76
DPND-PHENYLALANINEP1HAO0.76
DPND-PHENYLALANINEA,B,I1Z8J0.76
DPND-PHENYLALANINEA,B,C2PGQ0.76
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.76
DPND-PHENYLALANINEP1NRR0.76
DPND-PHENYLALANINEI1PPB0.76
DPND-PHENYLALANINEC,D,G,H1NU70.76
DPND-PHENYLALANINEI2HPP0.76
DPND-PHENYLALANINEB,C2OD30.76
DPND-PHENYLALANINEA1B0Q0.76
DPND-PHENYLALANINEB,C,E,F1NU90.76
DPND-PHENYLALANINEA,B,I1Z8I0.76
DPND-PHENYLALANINEH,I,J1TMU0.76
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.76
DPND-PHENYLALANINEA1GO90.76
DPND-PHENYLALANINEB,C,E,F1A0H0.76
DPND-PHENYLALANINEP1MCF0.76
DPND-PHENYLALANINEA2RME0.76
DPND-PHENYLALANINEH,I1TMT0.76
DPND-PHENYLALANINEI1ABI0.76
DPND-PHENYLALANINER1NRQ0.76
DPND-PHENYLALANINEB,C,F,G2A1D0.76
DPND-PHENYLALANINEA,B2Q330.76
DPND-PHENYLALANINEC,H,L1DAN0.76
DPND-PHENYLALANINEP1MCE0.76
DPND-PHENYLALANINEB,C,E,F2A450.76
DPND-PHENYLALANINEA2RMI0.76
DPND-PHENYLALANINEA,B,I1TQ70.76
DPND-PHENYLALANINEA1W7M0.76
DPND-PHENYLALANINEP1HAP0.76
DPND-PHENYLALANINEA,B1ORF0.76
DPND-PHENYLALANINEI1IHS0.76
DPND-PHENYLALANINEP1MCC0.76
DPND-PHENYLALANINEA2RMD0.76
DPND-PHENYLALANINEA2JQB0.76
DPND-PHENYLALANINEI2HPQ0.76
DPND-PHENYLALANINEC,E,F1SHH0.76
DPND-PHENYLALANINEA,I1CVR0.76
DPND-PHENYLALANINEL,P1AUT0.76
DPND-PHENYLALANINEP1MCI0.76
DPND-PHENYLALANINEH,I3F6U0.76
DPND-PHENYLALANINEA1BFW0.76
DPND-PHENYLALANINEH,I1HAI0.76
DPND-PHENYLALANINEB,C2THF0.76
DPND-PHENYLALANINEI1IHT0.76
DPND-PHENYLALANINEA,P1MCJ0.76
DPND-PHENYLALANINEA1TKH0.76
DPND-PHENYLALANINEC,H,L,T2FIR0.76
DPND-PHENYLALANINEA2FMZ0.76
DPND-PHENYLALANINEA1YL90.76
DPND-PHENYLALANINEI1HUT0.76
DPND-PHENYLALANINEI1FXY0.76
DPND-PHENYLALANINEA1YL80.76
DPND-PHENYLALANINEC,H,L1QFK0.76
DPND-PHENYLALANINEP1MCB0.76
V35D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACIDB,C2VGC0.71
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.72
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.71
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.74
S2DN-BENZOYL-D-ALANINEA,B2JCI0.72
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B1J360.7
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A,B2C6N0.7
LPR[N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-
L-LYSYL-L-PROLINE
A1O860.7
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.73
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.73
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.73
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.73
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.73
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.73
APD3-METHYLPHENYLALANINEA,B,C1GMY0.73
0A9methyl L-phenylalaninateA1AY20.71
0A9methyl L-phenylalaninateI5ER10.71
0A9methyl L-phenylalaninateI,P1HDT0.71
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.7
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.72
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.72
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.79
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.73
MY4(1-{(3S)-3-HYDROXY-4-OXO-4-[(2-
PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID
A2CNO0.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.77