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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02858198

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0A9methyl L-phenylalaninateA1AY20.75
0A9methyl L-phenylalaninateI5ER10.75
0A9methyl L-phenylalaninateI,P1HDT0.75
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.89
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.89
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.89
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.89
APD3-METHYLPHENYLALANINEA,B,C1GMY0.81
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDI4ER10.7
BNABIS-(NAPHTHYL-1-METHYL) ACETIC ACIDA1FQ50.7
PCSPHENYLALANYLMETHYLCHLORIDEB,D1DLK0.7
PCSPHENYLALANYLMETHYLCHLORIDEA1XQX0.7
MEAN-METHYLPHENYLALANINEA2PIL0.76
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.76
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.76
NHL(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACIDA2OHV0.83
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.7
PF52,3,4,5,6-PENTAFLUORO-L-PHENYLALANINEA2JM00.71
SBDD-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA3VSB0.71
FOG(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acidI1EED0.73
LLG2-aminoethyl naphthalen-1-ylacetateA3BC40.76
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B1UF80.72
INGD-[(AMINO)CARBONYL]PHENYLALANINEA,B,D,E1HDU0.72
NAMNAM NAPTHYLAMINOALANINEA,B,I,J3FIV0.76
NAMNAM NAPTHYLAMINOALANINEA,B,I,J2FIV0.76
IOYP-IODO-D-PHENYLALANINEA1XBU0.78
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.86
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.86
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.86
PG9D-PHENYLGLYCINEA,B,G,H10GS0.75
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.75
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.74
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.74
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.74
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.74
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.74
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.74
APMM-AMIDINOPHENYL-3-ALANINEE1PPH0.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.74
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.74
FRFPHE-REDUCED-PHEA,I1GVX0.75
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.79
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.79
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.79
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.79
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.77
SBLL-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINEA1AV70.71
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.79
T114-[3-(TRIFLUOROMETHYL)DIAZIRIDIN-
3-YL]-L-PHENYLALANINE
A3D6U0.71
CHP3-CHLORO-4-HYDROXYPHENYLGLYCINEA1DSR0.71
FE34-(2-aminoethyl)-3-chlorobenzoic acidA,B2K1Q0.77
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.88
4PH4-methyl-L-phenylalanineB,C3BV90.81
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.78
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.78
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.78
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.78
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.78
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.78
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.76
NLANAPHTHALEN-1-YL-ACETIC ACIDA,B,C,D1LRH0.73
NLANAPHTHALEN-1-YL-ACETIC ACIDB2P1O0.73
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.77
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.77
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.77
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.77
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.77
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.71
4BF4-BROMO-L-PHENYLALANINEA2AG60.74
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.78
AN13-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACIDH,Y1LO30.72
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.7
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDI1EPL0.74
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDA,B,C,D2IFW0.74
PSA3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACIDE,I1EPM0.74
PHIIODO-PHENYLALANINEA1TF90.78
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.78
PHIIODO-PHENYLALANINEA1T6H0.78
PHIIODO-PHENYLALANINEA,B,C1NLU0.78
PHIIODO-PHENYLALANINEA,I1GA10.78
PHIIODO-PHENYLALANINEA,I1GA40.78
PHIIODO-PHENYLALANINEP1CZI0.78
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.79
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.79
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D1A080.75
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1QZ00.75
FTYDEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINEC,D,E,F1XXV0.75
HPEHOMOPHENYLALANINEA,B1B1H0.79
CNTN-METHYL-META-CHLORO-TYROSINEC,D1OKX0.71
DPND-PHENYLALANINEP1MCS0.8
DPND-PHENYLALANINEA1GOE0.8
DPND-PHENYLALANINEA2RM90.8
DPND-PHENYLALANINEA1SOC0.8
DPND-PHENYLALANINEB,C,E,F1SFQ0.8
DPND-PHENYLALANINEI1ABJ0.8
DPND-PHENYLALANINEP1DWE0.8
DPND-PHENYLALANINEI,M1HLT0.8
DPND-PHENYLALANINEA,H,L1J9C0.8
DPND-PHENYLALANINEI,T1TMB0.8
DPND-PHENYLALANINEA2JRY0.8
DPND-PHENYLALANINEA2SOC0.8
DPND-PHENYLALANINEA2YYF0.8
DPND-PHENYLALANINEI2HGT0.8
DPND-PHENYLALANINEA,D2Q3I0.8
DPND-PHENYLALANINEA,P1MCD0.8
DPND-PHENYLALANINEP1HAO0.8
DPND-PHENYLALANINEA,B,I1Z8J0.8
DPND-PHENYLALANINEA,B,C2PGQ0.8
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.8
DPND-PHENYLALANINEP1NRR0.8
DPND-PHENYLALANINEI1PPB0.8
DPND-PHENYLALANINEC,D,G,H1NU70.8
DPND-PHENYLALANINEI2HPP0.8
DPND-PHENYLALANINEB,C2OD30.8
DPND-PHENYLALANINEA1B0Q0.8
DPND-PHENYLALANINEB,C,E,F1NU90.8
DPND-PHENYLALANINEA,B,I1Z8I0.8
DPND-PHENYLALANINEH,I,J1TMU0.8
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.8
DPND-PHENYLALANINEA1GO90.8
DPND-PHENYLALANINEB,C,E,F1A0H0.8
DPND-PHENYLALANINEP1MCF0.8
DPND-PHENYLALANINEA2RME0.8
DPND-PHENYLALANINEH,I1TMT0.8
DPND-PHENYLALANINEI1ABI0.8
DPND-PHENYLALANINER1NRQ0.8
DPND-PHENYLALANINEB,C,F,G2A1D0.8
DPND-PHENYLALANINEA,B2Q330.8
DPND-PHENYLALANINEC,H,L1DAN0.8
DPND-PHENYLALANINEP1MCE0.8
DPND-PHENYLALANINEB,C,E,F2A450.8
DPND-PHENYLALANINEA2RMI0.8
DPND-PHENYLALANINEA,B,I1TQ70.8
DPND-PHENYLALANINEA1W7M0.8
DPND-PHENYLALANINEP1HAP0.8
DPND-PHENYLALANINEA,B1ORF0.8
DPND-PHENYLALANINEI1IHS0.8
DPND-PHENYLALANINEP1MCC0.8
DPND-PHENYLALANINEA2RMD0.8
DPND-PHENYLALANINEA2JQB0.8
DPND-PHENYLALANINEI2HPQ0.8
DPND-PHENYLALANINEC,E,F1SHH0.8
DPND-PHENYLALANINEA,I1CVR0.8
DPND-PHENYLALANINEL,P1AUT0.8
DPND-PHENYLALANINEP1MCI0.8
DPND-PHENYLALANINEH,I3F6U0.8
DPND-PHENYLALANINEA1BFW0.8
DPND-PHENYLALANINEH,I1HAI0.8
DPND-PHENYLALANINEB,C2THF0.8
DPND-PHENYLALANINEI1IHT0.8
DPND-PHENYLALANINEA,P1MCJ0.8
DPND-PHENYLALANINEA1TKH0.8
DPND-PHENYLALANINEC,H,L,T2FIR0.8
DPND-PHENYLALANINEA2FMZ0.8
DPND-PHENYLALANINEA1YL90.8
DPND-PHENYLALANINEI1HUT0.8
DPND-PHENYLALANINEI1FXY0.8
DPND-PHENYLALANINEA1YL80.8
DPND-PHENYLALANINEC,H,L1QFK0.8
DPND-PHENYLALANINEP1MCB0.8
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.91
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.91
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.91
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.91
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.91
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.91
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.91
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.91
BR46-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-
HEXANOIC ACID
A1KQU0.72
APHP-AMIDINOPHENYL-3-ALANINEE,I1PPC0.74
APHP-AMIDINOPHENYL-3-ALANINEH1ETS0.74
APHP-AMIDINOPHENYL-3-ALANINEH1ETT0.74
APHP-AMIDINOPHENYL-3-ALANINEI1QUR0.74
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.76
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.72