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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03085135

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BCSBENZYLCYSTEINEA,B,G,H10GS0.9
BCSBENZYLCYSTEINEA1EH80.9
S2DN-BENZOYL-D-ALANINEA,B2JCI0.76
SEBO-BENZYLSULFONYL-SERINEA,B,C,D2APJ0.77
SEBO-BENZYLSULFONYL-SERINEA1IAV0.77
SEBO-BENZYLSULFONYL-SERINEA,B1IEC0.77
SEBO-BENZYLSULFONYL-SERINEA1ZIY0.77
SEBO-BENZYLSULFONYL-SERINEA1C9N0.77
SEBO-BENZYLSULFONYL-SERINEA1ZJ40.77
SEBO-BENZYLSULFONYL-SERINEA1GGV0.77
SEBO-BENZYLSULFONYL-SERINEA1Q5P0.77
SEBO-BENZYLSULFONYL-SERINEA1PQA0.77
SEBO-BENZYLSULFONYL-SERINEA1ZJ50.77
SEBO-BENZYLSULFONYL-SERINEA1C9M0.77
APD3-METHYLPHENYLALANINEA,B,C1GMY0.76
PFF4-FLUORO-L-PHENYLALANINEA3F3C0.76
PFF4-FLUORO-L-PHENYLALANINEA,C,E,F2UUE0.76
PFF4-FLUORO-L-PHENYLALANINEA1ZNT0.76
PFF4-FLUORO-L-PHENYLALANINEF,H1OL10.76
PFF4-FLUORO-L-PHENYLALANINEA,C,F,H2C5V0.76
PFF4-FLUORO-L-PHENYLALANINEE,F1OL20.76
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
A,L,M3FEA0.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
P1CWD0.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
L3FE70.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B2GV20.71
PM32-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)-
PROPIONIC ACID
B,D1CWE0.71
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.73
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.73
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.73
DPND-PHENYLALANINEP1MCS0.78
DPND-PHENYLALANINEA1GOE0.78
DPND-PHENYLALANINEA2RM90.78
DPND-PHENYLALANINEA1SOC0.78
DPND-PHENYLALANINEB,C,E,F1SFQ0.78
DPND-PHENYLALANINEI1ABJ0.78
DPND-PHENYLALANINEP1DWE0.78
DPND-PHENYLALANINEI,M1HLT0.78
DPND-PHENYLALANINEA,H,L1J9C0.78
DPND-PHENYLALANINEI,T1TMB0.78
DPND-PHENYLALANINEA2JRY0.78
DPND-PHENYLALANINEA2SOC0.78
DPND-PHENYLALANINEA2YYF0.78
DPND-PHENYLALANINEI2HGT0.78
DPND-PHENYLALANINEA,D2Q3I0.78
DPND-PHENYLALANINEA,P1MCD0.78
DPND-PHENYLALANINEP1HAO0.78
DPND-PHENYLALANINEA,B,I1Z8J0.78
DPND-PHENYLALANINEA,B,C2PGQ0.78
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.78
DPND-PHENYLALANINEP1NRR0.78
DPND-PHENYLALANINEI1PPB0.78
DPND-PHENYLALANINEC,D,G,H1NU70.78
DPND-PHENYLALANINEI2HPP0.78
DPND-PHENYLALANINEB,C2OD30.78
DPND-PHENYLALANINEA1B0Q0.78
DPND-PHENYLALANINEB,C,E,F1NU90.78
DPND-PHENYLALANINEA,B,I1Z8I0.78
DPND-PHENYLALANINEH,I,J1TMU0.78
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.78
DPND-PHENYLALANINEA1GO90.78
DPND-PHENYLALANINEB,C,E,F1A0H0.78
DPND-PHENYLALANINEP1MCF0.78
DPND-PHENYLALANINEA2RME0.78
DPND-PHENYLALANINEH,I1TMT0.78
DPND-PHENYLALANINEI1ABI0.78
DPND-PHENYLALANINER1NRQ0.78
DPND-PHENYLALANINEB,C,F,G2A1D0.78
DPND-PHENYLALANINEA,B2Q330.78
DPND-PHENYLALANINEC,H,L1DAN0.78
DPND-PHENYLALANINEP1MCE0.78
DPND-PHENYLALANINEB,C,E,F2A450.78
DPND-PHENYLALANINEA2RMI0.78
DPND-PHENYLALANINEA,B,I1TQ70.78
DPND-PHENYLALANINEA1W7M0.78
DPND-PHENYLALANINEP1HAP0.78
DPND-PHENYLALANINEA,B1ORF0.78
DPND-PHENYLALANINEI1IHS0.78
DPND-PHENYLALANINEP1MCC0.78
DPND-PHENYLALANINEA2RMD0.78
DPND-PHENYLALANINEA2JQB0.78
DPND-PHENYLALANINEI2HPQ0.78
DPND-PHENYLALANINEC,E,F1SHH0.78
DPND-PHENYLALANINEA,I1CVR0.78
DPND-PHENYLALANINEL,P1AUT0.78
DPND-PHENYLALANINEP1MCI0.78
DPND-PHENYLALANINEH,I3F6U0.78
DPND-PHENYLALANINEA1BFW0.78
DPND-PHENYLALANINEH,I1HAI0.78
DPND-PHENYLALANINEB,C2THF0.78
DPND-PHENYLALANINEI1IHT0.78
DPND-PHENYLALANINEA,P1MCJ0.78
DPND-PHENYLALANINEA1TKH0.78
DPND-PHENYLALANINEC,H,L,T2FIR0.78
DPND-PHENYLALANINEA2FMZ0.78
DPND-PHENYLALANINEA1YL90.78
DPND-PHENYLALANINEI1HUT0.78
DPND-PHENYLALANINEI1FXY0.78
DPND-PHENYLALANINEA1YL80.78
DPND-PHENYLALANINEC,H,L1QFK0.78
DPND-PHENYLALANINEP1MCB0.78
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.75
CPMS-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE-
S-METHANE
A1CPS0.74
TINA,B1N940.71
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S1YYL0.74
BIF(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACIDG,M,P,S2I5Y0.74
PG9D-PHENYLGLYCINEA,B,G,H10GS0.75
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.75
PHIIODO-PHENYLALANINEA1TF90.76
PHIIODO-PHENYLALANINEA,B,C,D1ORW0.76
PHIIODO-PHENYLALANINEA1T6H0.76
PHIIODO-PHENYLALANINEA,B,C1NLU0.76
PHIIODO-PHENYLALANINEA,I1GA10.76
PHIIODO-PHENYLALANINEA,I1GA40.76
PHIIODO-PHENYLALANINEP1CZI0.76
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J2FIV0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B1B0H0.7
ALNNAPHTHALEN-2-YL-3-ALANINEB1FIV0.7
ALNNAPHTHALEN-2-YL-3-ALANINEA,B,I,J3FIV0.7
4BF4-BROMO-L-PHENYLALANINEA2AG60.71
HPQHOMOPHENYLALANINYLMETHANEB1EWP0.7
BTP2-THIOMETHYL-3-PHENYLPROPANOIC ACIDA,B1JAO0.7
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.78
0A9methyl L-phenylalaninateA1AY20.72
0A9methyl L-phenylalaninateI5ER10.72
0A9methyl L-phenylalaninateI,P1HDT0.72
HPEHOMOPHENYLALANINEA,B1B1H0.78
CS3S-[3-OXO-3-(2-THIENYL)PROPYL]-L-
CYSTEINE
A2OQW0.77
PBBS-(4-BROMOBENZYL)CYSTEINEA,B,C,D1AQV0.81
4PH4-methyl-L-phenylalanineB,C3BV90.76
FBDN-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-
L-glutamic acid
A3D7D0.71
PNMOPEN FORM - PENICILLIN GA1GHP0.71
PNMOPEN FORM - PENICILLIN GA1PWC0.71
PNMOPEN FORM - PENICILLIN GA1IYQ0.71
PNMOPEN FORM - PENICILLIN GA1FQG0.71
PNMOPEN FORM - PENICILLIN GA,B,C,D2J8Y0.71
PNMOPEN FORM - PENICILLIN GA,B,C,D2JBF0.71
PNMOPEN FORM - PENICILLIN GA2EX80.71
FCL3-CHLORO-L-PHENYLALANINEE,F1OKW0.71
GSBS-BENZYL-GLUTATHIONEA,B,C,D1FRO0.72
GSBS-BENZYL-GLUTATHIONEA,B,C,D1GUH0.72
OIRN-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINEA1R1J0.71
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.74
TIHBETA(2-THIENYL)ALANINEA1MMK0.7
TIHBETA(2-THIENYL)ALANINEB1EOJ0.7
TIHBETA(2-THIENYL)ALANINEA1KW00.7
TIHBETA(2-THIENYL)ALANINEA1BDK0.7
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.75
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.75
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
TIO(2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)-
GLYCINE
E1ZDP0.74
23F(2Z)-2-AMINO-3-PHENYLACRYLIC ACIDA1VRZ0.72
2004-CHLORO-L-PHENYLALANINEA,B2AKW0.71
IOYP-IODO-D-PHENYLALANINEA1XBU0.76
CS4S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-
L-CYSTEINE
A2OQZ0.84
MEAN-METHYLPHENYLALANINEA2PIL0.73
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.73
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.73
IBGGAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINEA1M9B0.7
4AF4-ACETYL-L-PHENYLALANINEA1ZH60.8
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.76
NALBETA-(2-NAPHTHYL)-ALANINEA,B2ITK0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I4THN0.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2Q5A0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZWU0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1SKL0.7
NALBETA-(2-NAPHTHYL)-ALANINEH,I5GDS0.7
NALBETA-(2-NAPHTHYL)-ALANINEA1ZH00.7
NALBETA-(2-NAPHTHYL)-ALANINEA,B2JT90.7
PBFPARA-(BENZOYL)-PHENYLALANINEA2FR90.78
PBFPARA-(BENZOYL)-PHENYLALANINEA,B1EEN0.78
PBFPARA-(BENZOYL)-PHENYLALANINEA2HGZ0.78
PBFPARA-(BENZOYL)-PHENYLALANINEA2FRB0.78
PHMPHENYLALANYLMETHANEA,I1PJP0.7
PHMPHENYLALANYLMETHANEA,B,C2J9J0.7
PHMPHENYLALANYLMETHANEA,B,C2JE40.7
R1F3-{[(2,2,5,5-TETRAMETHYL-1-OXO-
4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM-
3-YL)METHYL]DISULFANYL}-D-ALANINE
A1ZUR0.7
GBIS-(3-IODOBENZYL)GLUTATHIONEA2GSQ0.7
IGLALPHA-AMINO-2-INDANACETIC ACIDA1BDK0.73