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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00273224

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2BL(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]-
L-aspartic acid
A1BTU0.79
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDA1QGF0.79
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E340.79
TPX(2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACIDB1E350.79
PG9D-PHENYLGLYCINEA,B,G,H10GS0.7
PG9D-PHENYLGLYCINEA,B,C,D2B4K0.7
235(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-[(R)-HYDROXY{(1R)-2-METHYL-1-
[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID
A,B,C2PJ70.74
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1O0D0.78
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FES0.78
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2ANK0.78
SMF4-SULFOMETHYL-L-PHENYLALANINED,H2FEQ0.78
SMF4-SULFOMETHYL-L-PHENYLALANINEH,P2A2X0.78
SMF4-SULFOMETHYL-L-PHENYLALANINED,H1NZQ0.78
HPEHOMOPHENYLALANINEA,B1B1H0.75
HMF2-AMINO-4-PHENYL-BUTYRIC ACIDI,J1AY60.75
BEY(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-
2-benzylpropanoic acid
A3EBI0.71
1PAPHENYLMETHYLACETIC ACID ALANINEI1BHF0.72
CXAPHENYLALANINE-N-SULFONAMIDEA1IY70.78
TFQ4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINEA3D6V0.71
256PHENYL(SULFO)ACETIC ACIDA1O4Q0.71
4PH4-methyl-L-phenylalanineB,C3BV90.73
TPRTOSYL-D-PROLINEA1F4E0.72
IOYP-IODO-D-PHENYLALANINEA1XBU0.73
ZAEN-methyl-D-phenylalanineH,I,R1TBZ0.7
DPND-PHENYLALANINEP1MCS0.75
DPND-PHENYLALANINEA1GOE0.75
DPND-PHENYLALANINEA2RM90.75
DPND-PHENYLALANINEA1SOC0.75
DPND-PHENYLALANINEB,C,E,F1SFQ0.75
DPND-PHENYLALANINEI1ABJ0.75
DPND-PHENYLALANINEP1DWE0.75
DPND-PHENYLALANINEI,M1HLT0.75
DPND-PHENYLALANINEA,H,L1J9C0.75
DPND-PHENYLALANINEI,T1TMB0.75
DPND-PHENYLALANINEA2JRY0.75
DPND-PHENYLALANINEA2SOC0.75
DPND-PHENYLALANINEA2YYF0.75
DPND-PHENYLALANINEI2HGT0.75
DPND-PHENYLALANINEA,D2Q3I0.75
DPND-PHENYLALANINEA,P1MCD0.75
DPND-PHENYLALANINEP1HAO0.75
DPND-PHENYLALANINEA,B,I1Z8J0.75
DPND-PHENYLALANINEA,B,C2PGQ0.75
DPND-PHENYLALANINEC,D,H,I,L,M,
X,Y
1DVA0.75
DPND-PHENYLALANINEP1NRR0.75
DPND-PHENYLALANINEI1PPB0.75
DPND-PHENYLALANINEC,D,G,H1NU70.75
DPND-PHENYLALANINEI2HPP0.75
DPND-PHENYLALANINEB,C2OD30.75
DPND-PHENYLALANINEA1B0Q0.75
DPND-PHENYLALANINEB,C,E,F1NU90.75
DPND-PHENYLALANINEA,B,I1Z8I0.75
DPND-PHENYLALANINEH,I,J1TMU0.75
DPND-PHENYLALANINEA,B,C,D,E,F2DNS0.75
DPND-PHENYLALANINEA1GO90.75
DPND-PHENYLALANINEB,C,E,F1A0H0.75
DPND-PHENYLALANINEP1MCF0.75
DPND-PHENYLALANINEA2RME0.75
DPND-PHENYLALANINEH,I1TMT0.75
DPND-PHENYLALANINEI1ABI0.75
DPND-PHENYLALANINER1NRQ0.75
DPND-PHENYLALANINEB,C,F,G2A1D0.75
DPND-PHENYLALANINEA,B2Q330.75
DPND-PHENYLALANINEC,H,L1DAN0.75
DPND-PHENYLALANINEP1MCE0.75
DPND-PHENYLALANINEB,C,E,F2A450.75
DPND-PHENYLALANINEA2RMI0.75
DPND-PHENYLALANINEA,B,I1TQ70.75
DPND-PHENYLALANINEA1W7M0.75
DPND-PHENYLALANINEP1HAP0.75
DPND-PHENYLALANINEA,B1ORF0.75
DPND-PHENYLALANINEI1IHS0.75
DPND-PHENYLALANINEP1MCC0.75
DPND-PHENYLALANINEA2RMD0.75
DPND-PHENYLALANINEA2JQB0.75
DPND-PHENYLALANINEI2HPQ0.75
DPND-PHENYLALANINEC,E,F1SHH0.75
DPND-PHENYLALANINEA,I1CVR0.75
DPND-PHENYLALANINEL,P1AUT0.75
DPND-PHENYLALANINEP1MCI0.75
DPND-PHENYLALANINEH,I3F6U0.75
DPND-PHENYLALANINEA1BFW0.75
DPND-PHENYLALANINEH,I1HAI0.75
DPND-PHENYLALANINEB,C2THF0.75
DPND-PHENYLALANINEI1IHT0.75
DPND-PHENYLALANINEA,P1MCJ0.75
DPND-PHENYLALANINEA1TKH0.75
DPND-PHENYLALANINEC,H,L,T2FIR0.75
DPND-PHENYLALANINEA2FMZ0.75
DPND-PHENYLALANINEA1YL90.75
DPND-PHENYLALANINEI1HUT0.75
DPND-PHENYLALANINEI1FXY0.75
DPND-PHENYLALANINEA1YL80.75
DPND-PHENYLALANINEC,H,L1QFK0.75
DPND-PHENYLALANINEP1MCB0.75
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA2NNV0.75
M29ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATEA,B2NN70.75
17A(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-
2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID
A,B,C2PJ80.71
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D730.74
NBBN-BUTYL-BENZENESULFONAMIDEA3D770.74
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D780.74
NBBN-BUTYL-BENZENESULFONAMIDEA,B3CZ10.74
NBBN-BUTYL-BENZENESULFONAMIDEA3D750.74
NBBN-BUTYL-BENZENESULFONAMIDEA3D760.74
NBBN-BUTYL-BENZENESULFONAMIDEA3BJH0.74
NBBN-BUTYL-BENZENESULFONAMIDEA,B3D740.74
MEAN-METHYLPHENYLALANINEA2PIL0.7
MEAN-METHYLPHENYLALANINEA,B,C,D1H0I0.7
MEAN-METHYLPHENYLALANINEA,B,I1DOJ0.7
TIHBETA(2-THIENYL)ALANINEA1MMK0.72
TIHBETA(2-THIENYL)ALANINEB1EOJ0.72
TIHBETA(2-THIENYL)ALANINEA1KW00.72
TIHBETA(2-THIENYL)ALANINEA1BDK0.72
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
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
BDLN-(biphenyl-4-ylsulfonyl)-D-leucineA3EHX0.78
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
HS7N-oxo-2-(phenylsulfonylamino)ethanamideA3F1A0.71
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA,B2NN10.82
M283-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACIDA2NNO0.82