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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03540905

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZYZ(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-
3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid
A3D9C0.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.79
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.79
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.79
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.79
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.79
NDD2,6-DICARBOXYNAPHTHALENEA1U4O0.71
NDD2,6-DICARBOXYNAPHTHALENEA,B,C,D1HAC0.71
MCG(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINEA,B1ISS0.7
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.78
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.79
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.74
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine
A3BKK0.71
PHIIODO-PHENYLALANINEA1TF90.8
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.8
PHIIODO-PHENYLALANINEA1T6H0.8
PHIIODO-PHENYLALANINEA,B,C1NLU0.8
PHIIODO-PHENYLALANINEA,I1GA10.8
PHIIODO-PHENYLALANINEA,I1GA40.8
PHIIODO-PHENYLALANINEP1CZI0.8
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.72
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.72
2546-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FD00.72
DTYD-TYROSINEA1C4B0.71
DTYD-TYROSINEA,L1ZEA0.71
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.71
DTYD-TYROSINEA,B1UNO0.71
DTYD-TYROSINEA2IGZ0.71
DTYD-TYROSINEA,B,C,H,K,L2R5D0.71
DTYD-TYROSINEA,B2Q330.71
DTYD-TYROSINEH,S2H9E0.71
DTYD-TYROSINEA,B,C,H,K,L2R5B0.71
DTYD-TYROSINEA2IH00.71
DTYD-TYROSINEA1D7T0.71
DTYD-TYROSINEA,B1XA00.71
FRFPHE-REDUCED-PHEA,I1GVX0.78
LP14-[2-(2-ACETYLAMINO-3-NAPHTALEN-
1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-
3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-
(1-CARBAMOYL-2-NAPHTHALEN-1-YL-
ETHYLCARBAMOYL)-PROPYL]-AMIDE
A4FIV0.73
LP14-[2-(2-ACETYLAMINO-3-NAPHTALEN-
1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-
3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-
(1-CARBAMOYL-2-NAPHTHALEN-1-YL-
ETHYLCARBAMOYL)-PROPYL]-AMIDE
A1ODY0.73
LP14-[2-(2-ACETYLAMINO-3-NAPHTALEN-
1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-
3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-
(1-CARBAMOYL-2-NAPHTHALEN-1-YL-
ETHYLCARBAMOYL)-PROPYL]-AMIDE
A2FMB0.73
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.82
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.82
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.82
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.82
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.76
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.76
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.76
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.71
HPHPHENYLALANINDIOLI1E5O0.7
HPHPHENYLALANINDIOLA,B1ODX0.7
HPHPHENYLALANINDIOLA,B1MTB0.7
HPHPHENYLALANINDIOLA,B2FGV0.7
HPHPHENYLALANINDIOLA1ODW0.7
HPHPHENYLALANINDIOLA,B2FGU0.7
HPHPHENYLALANINDIOLA,B1HXB0.7
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.7
PG9D-PHENYLGLYCINEA,B,G,H10GS0.77
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.77
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.8
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.8
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.8
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.8
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.8
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.8
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.81
HYB[2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)-
3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]-
PHENYLALANINOL
A1FMB0.7
GVR(2R)-N-hydroxy-3-naphthalen-2-yl-
2-[(naphthalen-2-ylsulfonyl)amino]propanamide
A,B,C2VES0.73
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.82
4BF4-BROMO-L-PHENYLALANINEA2AG60.76
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.75
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.87
HPIN-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-
ALPHA-ASPARAGINE
A1U4G0.73
BSI2-(BIPHENYL-4-SULFONYL)-1,2,3,4-
TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
A1BZS0.72
BSI2-(BIPHENYL-4-SULFONYL)-1,2,3,4-
TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
A1I760.72
4PH4-methyl-L-phenylalanineB,C3BV90.84
PH0N-{(2S)-3-[(R)-[(1R)-1-amino-2-
phenylethyl](hydroxy)phosphoryl]-
2-benzylpropanoyl}-L-phenylalanine
A2R590.74
2013-AMIDO-5-BIPHENYL-BENZOIC ACIDA2B0M0.72
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.7
0A9methyl L-phenylalaninateA1AY20.77
0A9methyl L-phenylalaninateI5ER10.77
0A9methyl L-phenylalaninateI,P1HDT0.77
5646-(5,5,8,8-TETRAMETHYL-5,6,7,8-
TETRAHYDRO-NAPHTALENE-2-CARBONYL)-
NAPHTALENE-2-CARBOXYLIC ACID
A1FCY0.73
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.78
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.94
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.94
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.94
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.94
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.94
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.94
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.94
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.94
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.74
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.74
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.82
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.75
1846-[HYDROXY-(5,5,8,8-TETRAMETHYL-
5,6,7,8-TETRAHYDRO-NAPHTALEN-2-
YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID
A1FCX0.71
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.75
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.74
MEAN-METHYLPHENYLALANINEA2PIL0.78
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.78
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.78
BFLA,B1Q4G0.7
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.83
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,M,N1FJM0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVA0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1LCM0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYM0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,I2IE30.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,X,Y2NPP0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVC0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
C,F,G,H3DW80.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A,B,C,D,E,F,
G,H
2NYL0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVD0.73
ADD2,6,8-TRIMETHYL-3-AMINO-9-BENZYL-
9-METHOXYNONANOIC ACID
A1EVB0.73
TYTTYROSINE DERIVATIVEA,B1LVN0.7
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.76
HPEHOMOPHENYLALANINEA,B1B1H0.83
C3MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE
B,I2C8Y0.7
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.88
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.88
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.77
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.77
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.77
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.76
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.76
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.76
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.76
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.76
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.76
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.76
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.76
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.76
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.78
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.78
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.75
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.75
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.75
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.75
T114-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-
3-YL]-L-PHENYLALANINE
A3D6U0.72
S1S2-(4-((9S,10S,14S,Z)-18-(2-AMINO-
2-OXOETHYL)-9-(CARBOXYMETHYL)-14-
(NAPHTHALEN-1-YLMETHYL)-8,17,20-
TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-
11-EN-10-YL)PHENYL)MALONIC ACID
A,B,C,D2AOB0.75
S1S2-(4-((9S,10S,14S,Z)-18-(2-AMINO-
2-OXOETHYL)-9-(CARBOXYMETHYL)-14-
(NAPHTHALEN-1-YLMETHYL)-8,17,20-
TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-
11-EN-10-YL)PHENYL)MALONIC ACID
A,B2AOA0.75
DPND-PHENYLALANINEP1MCS0.83
DPND-PHENYLALANINEA1GOE0.83
DPND-PHENYLALANINEA2RM90.83
DPND-PHENYLALANINEA1SOC0.83
DPND-PHENYLALANINEB,C,E,F1SFQ0.83
DPND-PHENYLALANINEI1ABJ0.83
DPND-PHENYLALANINEP1DWE0.83
DPND-PHENYLALANINEI,M1HLT0.83
DPND-PHENYLALANINEA,H,L1J9C0.83
DPND-PHENYLALANINEI,T1TMB0.83
DPND-PHENYLALANINEA2JRY0.83
DPND-PHENYLALANINEA2SOC0.83
DPND-PHENYLALANINEA2YYF0.83
DPND-PHENYLALANINEI2HGT0.83
DPND-PHENYLALANINEA,D2Q3I0.83
DPND-PHENYLALANINEA,P1MCD0.83
DPND-PHENYLALANINEP1HAO0.83
DPND-PHENYLALANINEA,B,I1Z8J0.83
DPND-PHENYLALANINEA,B,C2PGQ0.83
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.83
DPND-PHENYLALANINEP1NRR0.83
DPND-PHENYLALANINEI1PPB0.83
DPND-PHENYLALANINEC,D,G,H1NU70.83
DPND-PHENYLALANINEI2HPP0.83
DPND-PHENYLALANINEB,C2OD30.83
DPND-PHENYLALANINEA1B0Q0.83
DPND-PHENYLALANINEB,C,E,F1NU90.83
DPND-PHENYLALANINEA,B,I1Z8I0.83
DPND-PHENYLALANINEH,I,J1TMU0.83
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.83
DPND-PHENYLALANINEA1GO90.83
DPND-PHENYLALANINEB,C,E,F1A0H0.83
DPND-PHENYLALANINEP1MCF0.83
DPND-PHENYLALANINEA2RME0.83
DPND-PHENYLALANINEH,I1TMT0.83
DPND-PHENYLALANINEI1ABI0.83
DPND-PHENYLALANINER1NRQ0.83
DPND-PHENYLALANINEB,C,F,G2A1D0.83
DPND-PHENYLALANINEA,B2Q330.83
DPND-PHENYLALANINEC,H,L1DAN0.83
DPND-PHENYLALANINEP1MCE0.83
DPND-PHENYLALANINEB,C,E,F2A450.83
DPND-PHENYLALANINEA2RMI0.83
DPND-PHENYLALANINEA,B,I1TQ70.83
DPND-PHENYLALANINEA1W7M0.83
DPND-PHENYLALANINEP1HAP0.83
DPND-PHENYLALANINEA,B1ORF0.83
DPND-PHENYLALANINEI1IHS0.83
DPND-PHENYLALANINEP1MCC0.83
DPND-PHENYLALANINEA2RMD0.83
DPND-PHENYLALANINEA2JQB0.83
DPND-PHENYLALANINEI2HPQ0.83
DPND-PHENYLALANINEC,E,F1SHH0.83
DPND-PHENYLALANINEA,I1CVR0.83
DPND-PHENYLALANINEL,P1AUT0.83
DPND-PHENYLALANINEP1MCI0.83
DPND-PHENYLALANINEH,I3F6U0.83
DPND-PHENYLALANINEA1BFW0.83
DPND-PHENYLALANINEH,I1HAI0.83
DPND-PHENYLALANINEB,C2THF0.83
DPND-PHENYLALANINEI1IHT0.83
DPND-PHENYLALANINEA,P1MCJ0.83
DPND-PHENYLALANINEA1TKH0.83
DPND-PHENYLALANINEC,H,L,T2FIR0.83
DPND-PHENYLALANINEA2FMZ0.83
DPND-PHENYLALANINEA1YL90.83
DPND-PHENYLALANINEI1HUT0.83
DPND-PHENYLALANINEI1FXY0.83
DPND-PHENYLALANINEA1YL80.83
DPND-PHENYLALANINEC,H,L1QFK0.83
DPND-PHENYLALANINEP1MCB0.83
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.74
COR2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANEA9HVP0.71
MTYMETA-TYROSINEA2TOH0.71
MTYMETA-TYROSINEA,B1BIQ0.71
MTYMETA-TYROSINEA1Q7O0.71
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.94
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.94
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.94
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.94
APD3-METHYLPHENYLALANINEA,B,C1GMY0.84
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.79
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.81
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.83
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.83
IOYP-IODO-D-PHENYLALANINEA1XBU0.8
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.73
PF52,3,4,5,6-PENTAFLUORO-L-PHENYLALANINEA2JM00.73
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.72
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.77
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.77