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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03777095

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.72
TY23-AMINO-L-TYROSINEA,B2VH30.78
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.73
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.73
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.73
KY14-(2-AMINOPHENYL)-4-OXOBUTANOIC ACIDA,B,C,D2CH20.76
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.77
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.77
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.72
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.72
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.72
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.72
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.72
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.72
GASB,H1ETZ0.73
GASH2CGR0.73
PPNPARA-NITROPHENYLALANINEI1YTJ0.87
WRGN~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]-
L-ornithyl-N-methyl-L-phenylalanine
A,B3CHD0.71
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.77
NIYMETA-NITRO-TYROSINEA2ADP0.73
NIYMETA-NITRO-TYROSINEA3DIV0.73
NIYMETA-NITRO-TYROSINEA2H5U0.73
NIYMETA-NITRO-TYROSINEA1K4Q0.73
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.73
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.72
2UN{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-
3-OXOPROPYL]PHENYL}SULFAMIC ACID
A,B2H020.72
APD3-METHYLPHENYLALANINEA,B,C1GMY0.79
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.79
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.79
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.79
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.79
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.79
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.79
APAAMIDO PHENYL PYRUVIC ACIDH,I1AHT0.72
APAAMIDO PHENYL PYRUVIC ACIDA,B,C,D1A0L0.72
APAAMIDO PHENYL PYRUVIC ACIDA1TPP0.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.77
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.77
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.74
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.71
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.77
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.75
FRFPHE-REDUCED-PHEA,I1GVX0.74
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.72
L98(2R)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-
3-SULFANYLPROPANOIC ACID
A,B,C1ZG80.72
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.7
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.76
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.74
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.74
BNNACETYL-P-AMIDINOPHENYLALANINE2,3,48KME0.75
BNNACETYL-P-AMIDINOPHENYLALANINEH,I,J7KME0.75
PHIIODO-PHENYLALANINEA1TF90.79
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.79
PHIIODO-PHENYLALANINEA1T6H0.79
PHIIODO-PHENYLALANINEA,B,C1NLU0.79
PHIIODO-PHENYLALANINEA,I1GA10.79
PHIIODO-PHENYLALANINEA,I1GA40.79
PHIIODO-PHENYLALANINEP1CZI0.79
KYNKYNURENINEA,B,C,D2R2N0.82
KYNKYNURENINEA,B3E2Z0.82
KYNKYNURENINEA1XT70.82
KYNKYNURENINEA1T5M0.82
KYNKYNURENINEA1T5N0.82
KYNKYNURENINEA2VOV0.82
KYNKYNURENINEA2VOX0.82
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.82
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.82
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.82
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.82
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.78
BE22-AMINOBENZOIC ACIDA,B,C,D,E,F,
G,H
1F8S0.72
BE22-AMINOBENZOIC ACIDE,I1ZFP0.72
BE22-AMINOBENZOIC ACIDA,B2HU80.72
BE22-AMINOBENZOIC ACIDA,B1AN90.72
BE22-AMINOBENZOIC ACIDA,B,C,D2GVQ0.72
BE22-AMINOBENZOIC ACIDA,B2YR60.72
BE22-AMINOBENZOIC ACIDA,I1E8N0.72
BE22-AMINOBENZOIC ACIDA,B,C,D1ZYK0.72
BE22-AMINOBENZOIC ACIDA1C0I0.72
BE22-AMINOBENZOIC ACIDA,B2JB30.72
BE22-AMINOBENZOIC ACIDA,B,C,D2E4A0.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.79
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.79
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.79
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.79
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.79
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.79
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.75
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.72
MEAN-METHYLPHENYLALANINEA2PIL0.78
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.78
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.78
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3S0.8
ZAB(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B,C,D2H4B0.8
IOYP-IODO-D-PHENYLALANINEA1XBU0.79
PG9D-PHENYLGLYCINEA,B,G,H10GS0.81
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.81
PF52,3,4,5,6-PENTAFLUORO-L-PHENYLALANINEA2JM00.72
PAB4-AMINOBENZOIC ACIDA1PBD0.73
PAB4-AMINOBENZOIC ACIDB2DZA0.73
PAB4-AMINOBENZOIC ACIDA1IUS0.73
PAB4-AMINOBENZOIC ACIDA1IUU0.73
PAB4-AMINOBENZOIC ACIDA1IUT0.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.73
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.73
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.73
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.73
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.73
4BF4-BROMO-L-PHENYLALANINEA2AG60.74
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.87
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.72
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6Y0.71
TYQ3-AMINO-6-HYDROXY-TYROSINEA,B1D6U0.71
4PH4-methyl-L-phenylalanineB,C3BV90.79
DPND-PHENYLALANINEP1MCS0.81
DPND-PHENYLALANINEA1GOE0.81
DPND-PHENYLALANINEA2RM90.81
DPND-PHENYLALANINEA1SOC0.81
DPND-PHENYLALANINEB,C,E,F1SFQ0.81
DPND-PHENYLALANINEI1ABJ0.81
DPND-PHENYLALANINEP1DWE0.81
DPND-PHENYLALANINEI,M1HLT0.81
DPND-PHENYLALANINEA,H,L1J9C0.81
DPND-PHENYLALANINEI,T1TMB0.81
DPND-PHENYLALANINEA2JRY0.81
DPND-PHENYLALANINEA2SOC0.81
DPND-PHENYLALANINEA2YYF0.81
DPND-PHENYLALANINEI2HGT0.81
DPND-PHENYLALANINEA,D2Q3I0.81
DPND-PHENYLALANINEA,P1MCD0.81
DPND-PHENYLALANINEP1HAO0.81
DPND-PHENYLALANINEA,B,I1Z8J0.81
DPND-PHENYLALANINEA,B,C2PGQ0.81
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.81
DPND-PHENYLALANINEP1NRR0.81
DPND-PHENYLALANINEI1PPB0.81
DPND-PHENYLALANINEC,D,G,H1NU70.81
DPND-PHENYLALANINEI2HPP0.81
DPND-PHENYLALANINEB,C2OD30.81
DPND-PHENYLALANINEA1B0Q0.81
DPND-PHENYLALANINEB,C,E,F1NU90.81
DPND-PHENYLALANINEA,B,I1Z8I0.81
DPND-PHENYLALANINEH,I,J1TMU0.81
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.81
DPND-PHENYLALANINEA1GO90.81
DPND-PHENYLALANINEB,C,E,F1A0H0.81
DPND-PHENYLALANINEP1MCF0.81
DPND-PHENYLALANINEA2RME0.81
DPND-PHENYLALANINEH,I1TMT0.81
DPND-PHENYLALANINEI1ABI0.81
DPND-PHENYLALANINER1NRQ0.81
DPND-PHENYLALANINEB,C,F,G2A1D0.81
DPND-PHENYLALANINEA,B2Q330.81
DPND-PHENYLALANINEC,H,L1DAN0.81
DPND-PHENYLALANINEP1MCE0.81
DPND-PHENYLALANINEB,C,E,F2A450.81
DPND-PHENYLALANINEA2RMI0.81
DPND-PHENYLALANINEA,B,I1TQ70.81
DPND-PHENYLALANINEA1W7M0.81
DPND-PHENYLALANINEP1HAP0.81
DPND-PHENYLALANINEA,B1ORF0.81
DPND-PHENYLALANINEI1IHS0.81
DPND-PHENYLALANINEP1MCC0.81
DPND-PHENYLALANINEA2RMD0.81
DPND-PHENYLALANINEA2JQB0.81
DPND-PHENYLALANINEI2HPQ0.81
DPND-PHENYLALANINEC,E,F1SHH0.81
DPND-PHENYLALANINEA,I1CVR0.81
DPND-PHENYLALANINEL,P1AUT0.81
DPND-PHENYLALANINEP1MCI0.81
DPND-PHENYLALANINEH,I3F6U0.81
DPND-PHENYLALANINEA1BFW0.81
DPND-PHENYLALANINEH,I1HAI0.81
DPND-PHENYLALANINEB,C2THF0.81
DPND-PHENYLALANINEI1IHT0.81
DPND-PHENYLALANINEA,P1MCJ0.81
DPND-PHENYLALANINEA1TKH0.81
DPND-PHENYLALANINEC,H,L,T2FIR0.81
DPND-PHENYLALANINEA2FMZ0.81
DPND-PHENYLALANINEA1YL90.81
DPND-PHENYLALANINEI1HUT0.81
DPND-PHENYLALANINEI1FXY0.81
DPND-PHENYLALANINEA1YL80.81
DPND-PHENYLALANINEC,H,L1QFK0.81
DPND-PHENYLALANINEP1MCB0.81
DTYD-TYROSINEA1C4B0.7
DTYD-TYROSINEA,L1ZEA0.7
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.7
DTYD-TYROSINEA,B1UNO0.7
DTYD-TYROSINEA2IGZ0.7
DTYD-TYROSINEA,B,C,H,K,L2R5D0.7
DTYD-TYROSINEA,B2Q330.7
DTYD-TYROSINEH,S2H9E0.7
DTYD-TYROSINEA,B,C,H,K,L2R5B0.7
DTYD-TYROSINEA2IH00.7
DTYD-TYROSINEA1D7T0.7
DTYD-TYROSINEA,B1XA00.7
CBLCHLORAMBUCILA,B3CSJ0.76
GBS4-GUANIDINOBENZOIC ACIDX2AH40.72
GBS4-GUANIDINOBENZOIC ACIDA1GBT0.72
GBS4-GUANIDINOBENZOIC ACIDA1RTK0.72
GBS4-GUANIDINOBENZOIC ACIDA3DFL0.72
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.71
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.74
T114-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-
3-YL]-L-PHENYLALANINE
A3D6U0.75
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.71
4MB4-[(METHYLSULFONYL)AMINO]BENZOIC ACIDA,B2HDS0.7
EAB(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACIDA,B2H3T0.8
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.73
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.73
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.73
0A9methyl L-phenylalaninateA1AY20.76
0A9methyl L-phenylalaninateI5ER10.76
0A9methyl L-phenylalaninateI,P1HDT0.76
AO2N'-(2S,3R)-3-AMINO-4-CYCLOHEXYL-
2-HYDROXY-BUTANO-N-(4-METHYLPHENYL)HYDRAZIDE
A1R5H0.74
U143-(5-AMINO-3-IMINO-3H-PYRAZOL-4-
YLAZO)-BENZOIC ACID
A2GG70.73
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.82
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.79
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.74
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.74
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.79
HPEHOMOPHENYLALANINEA,B1B1H0.79
AZY3-AZIDO-L-TYROSINEA2YXN0.78
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.77
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.79
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.73
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.73
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.73
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.73
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A1SLN0.74
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A2SRT0.74
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A3BG80.74
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.72
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.72
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.72
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.71
GAB3-AMINOBENZOIC ACIDA,B,C,D,E,F2PQF0.73
GAB3-AMINOBENZOIC ACIDA,B3GSB0.73
GAB3-AMINOBENZOIC ACIDA,B,C1GBN0.73
GAB3-AMINOBENZOIC ACIDA3FHB0.73