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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00832013

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LK2N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
D-GLUTAMIC ACID
A2JFF0.78
MM3N-HYDROXY-4-[(4-METHOXYLPHENYL)SULFONYL]-
2,2-DIMETHYL-HEXAHYDRO-1,4-THIAZEPINE-
3(S)-CARBOXAMIDE
A,B1D5J0.71
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA,B,C1Q3A0.75
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA1YCM0.75
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA2JSD0.75
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA1Z3J0.75
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA2JNP0.75
NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDA1RMZ0.75
HBH2-[(8S,11S)-11-{(1R)-1-HYDROXY-
2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-
6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-
1(15),13,16-TRIEN-8-YL]ACETAMIDE
A,B1Z1R0.71
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA,B1I7I0.72
AZ2(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACIDA1I7G0.72
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
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.72
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
A,B1J1A0.71
RS2N-HYDROXY-2-[4-(4-PHENOXY-BENZENESULFONYL)-
TETRAHYDRO-PYRAN-4-YL]-ACETAMIDE
A966C0.74
SPIN-HYDROXY-1-(4-METHOXYPHENYL)SULFONYL-
4-BENZYLOXYCARBONYL-PIPERAZINE-
2-CARBOXAMIDE
A,B1D8F0.73
MBSA,B1HY70.83
1676-CARBAMIMIDOYL-2-[2-HYDROXY-5-
(3-METHOXY-PHENYL)-INDAN-1-YL]-
HEXANOIC ACID
B,I1QJ60.71
T443,5,3',5'-TETRAIODO-L-THYRONINEX1Y0X0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK10.72
T443,5,3',5'-TETRAIODO-L-THYRONINEC,D1ICT0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA2RIW0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2ROX0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1IE40.72
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETB0.72
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETA0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B,C1SN00.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2CEO0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1F860.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK40.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK20.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK50.72
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK30.72
886N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl-
4-yl}sulfonyl)-D-valine
A,B,C,D2RJP0.79
MTYMETA-TYROSINEA2TOH0.7
MTYMETA-TYROSINEA,B1BIQ0.7
MTYMETA-TYROSINEA1Q7O0.7
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.72
235(2S)-2-[3-(AMINOMETHYL)PHENYL]-
3-[(R)-HYDROXY{(1R)-2-METHYL-1-
[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID
A,B,C2PJ70.7
LK3N-{[6-(PENTYLOXY)NAPHTHALEN-2-YL]SULFONYL}-
D-GLUTAMIC ACID
A2UUO0.78
LK4N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-
2-YL}SULFONYL)-D-GLUTAMIC ACID
A2UUP0.73
LK4N-({6-[(4-CYANOBENZYL)OXY]NAPHTHALEN-
2-YL}SULFONYL)-D-GLUTAMIC ACID
A2VTE0.73
TYSO-SULFO-L-TYROSINEH,I1O2G0.73
TYSO-SULFO-L-TYROSINEI,J1AY60.73
TYSO-SULFO-L-TYROSINEB,I1QHR0.73
TYSO-SULFO-L-TYROSINEB,C1TWX0.73
TYSO-SULFO-L-TYROSINEB,D2K030.73
TYSO-SULFO-L-TYROSINEH,I1YPK0.73
TYSO-SULFO-L-TYROSINEH,I1SB10.73
TYSO-SULFO-L-TYROSINEA,B1ZGV0.73
TYSO-SULFO-L-TYROSINEB,I2C8Y0.73
TYSO-SULFO-L-TYROSINEH,I2ZGB0.73
TYSO-SULFO-L-TYROSINEH,I2ZC90.73
TYSO-SULFO-L-TYROSINED,H2JH60.73
TYSO-SULFO-L-TYROSINEH,I2ZDV0.73
TYSO-SULFO-L-TYROSINEI1VR10.73
TYSO-SULFO-L-TYROSINEA,B,I1DOJ0.73
TYSO-SULFO-L-TYROSINEH,I2BVR0.73
TYSO-SULFO-L-TYROSINEH,I,L1GHY0.73
TYSO-SULFO-L-TYROSINEH,I1T4V0.73
TYSO-SULFO-L-TYROSINEH,I1TOM0.73
TYSO-SULFO-L-TYROSINEH,I1YPE0.73
TYSO-SULFO-L-TYROSINEB,I1WAY0.73
TYSO-SULFO-L-TYROSINE2,31C4Y0.73
TYSO-SULFO-L-TYROSINEH,I2ZHF0.73
TYSO-SULFO-L-TYROSINEB,I2C8Z0.73
TYSO-SULFO-L-TYROSINEH,I1A5G0.73
TYSO-SULFO-L-TYROSINEH,I1YPL0.73
TYSO-SULFO-L-TYROSINEA,B,C,D,E,F,H2QAD0.73
TYSO-SULFO-L-TYROSINEH,I,R1B5G0.73
TYSO-SULFO-L-TYROSINEB,C1MU80.73
TYSO-SULFO-L-TYROSINEA,B1GWB0.73
TYSO-SULFO-L-TYROSINEB,I2C900.73
TYSO-SULFO-L-TYROSINEB,I1WBG0.73
TYSO-SULFO-L-TYROSINEB,I2C930.73
TYSO-SULFO-L-TYROSINEB,C1G300.73
TYSO-SULFO-L-TYROSINEB,H2UUK0.73
TYSO-SULFO-L-TYROSINEH,I3EGK0.73
TYSO-SULFO-L-TYROSINEH,I1C5N0.73
TYSO-SULFO-L-TYROSINEH,I1A610.73
TYSO-SULFO-L-TYROSINEH,I1C5L0.73
TYSO-SULFO-L-TYROSINEA,H1XM10.73
TYSO-SULFO-L-TYROSINEH,I1A2C0.73
TYSO-SULFO-L-TYROSINEH,I2BVX0.73
TYSO-SULFO-L-TYROSINEH,I2ZFF0.73
TYSO-SULFO-L-TYROSINEH,I3BIU0.73
TYSO-SULFO-L-TYROSINEB,H1D3P0.73
TYSO-SULFO-L-TYROSINEB,H1D3Q0.73
TYSO-SULFO-L-TYROSINEH,I2ZFP0.73
TYSO-SULFO-L-TYROSINEB,C,D1BA80.73
TYSO-SULFO-L-TYROSINEA,I1D6W0.73
TYSO-SULFO-L-TYROSINEH,I2ZF00.73
TYSO-SULFO-L-TYROSINEH,I2ZGX0.73
TYSO-SULFO-L-TYROSINEB,G1OOK0.73
TYSO-SULFO-L-TYROSINEH,I1AE80.73
TYSO-SULFO-L-TYROSINEH,I2ZFR0.73
TYSO-SULFO-L-TYROSINEA,H1NT10.73
TYSO-SULFO-L-TYROSINEH,I2ZFQ0.73
TYSO-SULFO-L-TYROSINEE,I1HAG0.73
TYSO-SULFO-L-TYROSINEB,I2C8X0.73
TYSO-SULFO-L-TYROSINEH,I2BXT0.73
TYSO-SULFO-L-TYROSINED,H2GDE0.73
TYSO-SULFO-L-TYROSINEH,I,R1TBZ0.73
TYSO-SULFO-L-TYROSINEH,I1BCU0.73
TYSO-SULFO-L-TYROSINEB,C1KTS0.73
TYSO-SULFO-L-TYROSINEH,I2BXU0.73
TYSO-SULFO-L-TYROSINEB,I1QJ70.73
TYSO-SULFO-L-TYROSINEH,I1K220.73
TYSO-SULFO-L-TYROSINEI,T1TMB0.73
TYSO-SULFO-L-TYROSINEH,I1AHT0.73
TYSO-SULFO-L-TYROSINEI1HGT0.73
TYSO-SULFO-L-TYROSINEB,I1QJ10.73
TYSO-SULFO-L-TYROSINEA,B1TA60.73
TYSO-SULFO-L-TYROSINEH,I1AFE0.73
TYSO-SULFO-L-TYROSINEH,I1AIX0.73
TYSO-SULFO-L-TYROSINEH,I2ZG00.73
TYSO-SULFO-L-TYROSINEC,D2PKS0.73
TYSO-SULFO-L-TYROSINEB,C1MUE0.73
TYSO-SULFO-L-TYROSINED,H2JH50.73
TYSO-SULFO-L-TYROSINEB,D2K050.73
TYSO-SULFO-L-TYROSINEB,C1MU60.73
TYSO-SULFO-L-TYROSINEA,B,C,D1G1S0.73
TYSO-SULFO-L-TYROSINEH,I1HAH0.73
TYSO-SULFO-L-TYROSINEH,I2ZI20.73
TYSO-SULFO-L-TYROSINEH,I3BIV0.73
TYSO-SULFO-L-TYROSINE2,31C4U0.73
TYSO-SULFO-L-TYROSINEA,B1NM60.73
TYSO-SULFO-L-TYROSINEA,B3C1K0.73
TYSO-SULFO-L-TYROSINEA,I1D9I0.73
TYSO-SULFO-L-TYROSINEH,I1YPG0.73
TYSO-SULFO-L-TYROSINEB,H1D4P0.73
TYSO-SULFO-L-TYROSINEH,I,J1TMU0.73
TYSO-SULFO-L-TYROSINEH,I1YPM0.73
TYSO-SULFO-L-TYROSINEB,C1BB00.73
TYSO-SULFO-L-TYROSINEA,C1P8V0.73
TYSO-SULFO-L-TYROSINEB,H2UUF0.73
TYSO-SULFO-L-TYROSINEB,C1G320.73
TYSO-SULFO-L-TYROSINEH,I1YPJ0.73
TYSO-SULFO-L-TYROSINEB,I2C8W0.73
TYSO-SULFO-L-TYROSINEI,K1H8D0.73
TYSO-SULFO-L-TYROSINEH,I1GJ40.73
TYSO-SULFO-L-TYROSINEH,I1O5G0.73
TYSO-SULFO-L-TYROSINEA2RLL0.73
TYSO-SULFO-L-TYROSINEH,I1AD80.73
TYSO-SULFO-L-TYROSINEH,I1C1U0.73
TYSO-SULFO-L-TYROSINEH,I,L1GHX0.73
TYSO-SULFO-L-TYROSINEA,B1ZRB0.73
TYSO-SULFO-L-TYROSINEA,B2BDY0.73
TYSO-SULFO-L-TYROSINEH,I2ZHE0.73
TYSO-SULFO-L-TYROSINED,H2JH00.73
TYSO-SULFO-L-TYROSINEA,B1TA20.73
TYSO-SULFO-L-TYROSINEB,H2UUJ0.73
TYSO-SULFO-L-TYROSINEA,H1JMO0.73
TYSO-SULFO-L-TYROSINEA,B1SL30.73
TYSO-SULFO-L-TYROSINEH,I2ZHQ0.73
TYSO-SULFO-L-TYROSINEH,I2ZO30.73
TYSO-SULFO-L-TYROSINE2,3,48KME0.73
TYSO-SULFO-L-TYROSINEH,I,L1C1W0.73
TYSO-SULFO-L-TYROSINEB,I1QJ60.73
TYSO-SULFO-L-TYROSINEA,B1Z710.73
TYSO-SULFO-L-TYROSINEA,B1ZGI0.73
TYSO-SULFO-L-TYROSINEH,I1C5O0.73
TYSO-SULFO-L-TYROSINEI,T3HAT0.73
TYSO-SULFO-L-TYROSINEH,I3DUX0.73
TYSO-SULFO-L-TYROSINEH,I1C1V0.73
TYSO-SULFO-L-TYROSINEH,I2ZNK0.73
TYSO-SULFO-L-TYROSINEH,I3D490.73
TYSO-SULFO-L-TYROSINEH,I1GJ50.73
TYSO-SULFO-L-TYROSINEH,I1UMA0.73
TYSO-SULFO-L-TYROSINEH,I3DT00.73
TYSO-SULFO-L-TYROSINEE,H1QBV0.73
TYSO-SULFO-L-TYROSINEI,K1H8I0.73
TYSO-SULFO-L-TYROSINEA,C,D1RZG0.73
TYSO-SULFO-L-TYROSINEH,I1AI80.73
TYSO-SULFO-L-TYROSINEH,I,J7KME0.73
TYSO-SULFO-L-TYROSINEH,I,L2PW80.73
TYSO-SULFO-L-TYROSINEH,I1A4W0.73
TYSO-SULFO-L-TYROSINEH,I1GHV0.73
TYSO-SULFO-L-TYROSINEH,I1NO90.73
TYSO-SULFO-L-TYROSINEH,I1AWF0.73
TYSO-SULFO-L-TYROSINEH,I1K210.73
TYSO-SULFO-L-TYROSINEH,I1T4U0.73
TYSO-SULFO-L-TYROSINEB,H1D3D0.73
TYSO-SULFO-L-TYROSINEB,H1D3T0.73
TYSO-SULFO-L-TYROSINEH,I1A460.73
TYSO-SULFO-L-TYROSINEH,I2ZDA0.73
TYSO-SULFO-L-TYROSINEH,I2ZHW0.73
TYSO-SULFO-L-TYROSINEB2K3U0.73
TYSO-SULFO-L-TYROSINEH,I3DHK0.73
TYSO-SULFO-L-TYROSINEB,C1KTT0.73
TYSO-SULFO-L-TYROSINEH,I2BVS0.73
TYSO-SULFO-L-TYROSINE31NY20.73
TYSO-SULFO-L-TYROSINEB,C1CA80.73
TYSO-SULFO-L-TYROSINEH,I1GHW0.73
TYSO-SULFO-L-TYROSINE2,31C4V0.73
TYSO-SULFO-L-TYROSINEH,I2ZIQ0.73
FINA1ZVX0.78
111(1N)-4-N-BUTOXYPHENYLSULFONYL-(2R)-
N-HYDROXYCARBOXAMIDO-(4S)-METHANESULFONYLAMINO-
PYRROLIDINE
A,B1G490.7
TBLN-[(4-methoxyphenyl)sulfonyl]-D-
alanine
A3EHY0.84
NOQ(1R,2R)-N-(2-AMINOETHYL)-2-{[(4-
METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE
A2F7D0.78
HBBN-{(2R)-2-HYDROXY-2-[(8S,11S)-8-
ISOPROPYL-6,9-DIOXO-2-OXA-7,10-
DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-
TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE
A,B1Z1H0.73
EINA1ZS00.78
G55(5R)-1,3-dioxepan-5-yl [(1S,2R)-
1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-
methylpropyl)amino}propyl]carbamate
A,B3DJK0.72
AGGTIROFIBANA,B2VDM0.79
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.73
FLTFLUOROMALONYL TYROSINEI1BZH0.7
SPCN-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-
4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-
2R-CARBOXAMIDE
A,B1D7X0.73
MUUN-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3-
METHOXYPHENYL)SULFONYL]AMINO}-2-
HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE
A,B2PSU0.75
HS3(2R)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-
N-oxo-propanamide
A3F160.74
1592-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)-
BENZOIC ACID
A,B1NME0.74
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)
A2VJ80.71
G05(4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-
6-yl [(1S,2R)-1-benzyl-2-hydroxy-
3-{[(4-methoxyphenyl)sulfonyl](2-
methylpropyl)amino}propyl]carbamate
A,B3DK10.71
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.76
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.71
LK1N-[(6-BUTOXYNAPHTHALEN-2-YL)SULFONYL]-
L-GLUTAMIC ACID
A2JFH0.78
NPS(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acidA2VDB0.7
C4MN-[(2R,3S)-3-AMINO-2-HYDROXY-4-
PHENYLBUTYL]-4-METHOXY-2,3,6-TRIMETHYLBENZENESULFONAMIDE
B,I2C930.76
F9F2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATEA,B2CLI0.72
F9F2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATEA,B2CLL0.72
MZ9N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-
{[(4-METHOXYPHENYL)SULFONYL][(2S)-
2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE
A,B2QI70.78
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.7
T333,3'-DEIODO-THYROXINEA,B1THA0.73
8MR(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACIDA,B2OW20.72
LKMN-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-
2-YL}SULFONYL)-D-GLUTAMIC ACID
A2VTD0.72