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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02329580

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DENINDENEA183L0.85
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.77
LEG1-(4-HEXYLPHENYL)PROP-2-EN-1-ONEA,B2PIN0.76
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.71
1LPTRANYLCYPROMINEA,B1OJB0.76
5PV5-PHENYLVALERIC ACIDA,B2AY90.7
AN3ANTHRACENEA,B2HMN0.8
AN3ANTHRACENEA,B2HMM0.8
BDBA,B1KE30.84
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.71
TSUPARA-TOLUENE SULFONATEA,B1WUW0.71
TSUPARA-TOLUENE SULFONATEA1B0D0.71
CVB4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACIDA,B1KE00.7
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.75
PBN4-PHENYLBUTYLAMINEA1TNI0.79
PBN4-PHENYLBUTYLAMINEA1UTP0.79
PEYPHENANTHRENEA,B2HML0.8
PEYPHENANTHRENEA,B2HMK0.8
PRA3-PHENYLPROPYLAMINEA1TNK0.79
PRA3-PHENYLPROPYLAMINEM1UTL0.79
OXEORTHO-XYLENEA,B3E0X0.93
OXEORTHO-XYLENEA188L0.93
FPRPROPYLBENZENEC1RHK0.96
I4BISOBUTYLBENZENEA184L0.96
TLD4-methylbenzene-1,2-dithiolA2Z940.78
PBCPHENYL BORONIC ACIDA2A320.73
PBCPHENYL BORONIC ACIDA1JU30.73
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.87
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.77
PPT3-(P-TOLYL)PROPIONIC ACIDA,B2AY40.73
FEP[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-
PHENYL]-BUTYL}-PHENYL)-DIFLUORO-
METHYL]-PHOSPHONIC ACID
A1KAV0.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE60.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA1BE80.71
TCAPHENYLETHYLENECARBOXYLIC ACIDA,B,C,D,E,F,
G,H
2O780.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.75
B2FPHENYLALANINE BORONIC ACIDA,P1P060.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.75
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.75
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.78
PEA2-PHENYLETHYLAMINEA1TNJ0.78
PEA2-PHENYLETHYLAMINED,H2HKM0.78
PEA2-PHENYLETHYLAMINEA1UTO0.78
PEA2-PHENYLETHYLAMINEA,B1D6Y0.78
PEA2-PHENYLETHYLAMINEA,B1D6Z0.78
PEA2-PHENYLETHYLAMINEA,B1D6U0.78
PEA2-PHENYLETHYLAMINEA1UTM0.78
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.76
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOJ0.72
BBS4-TERT-BUTYLBENZENESULFONIC ACIDB1EOL0.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.9
PXYPARA-XYLENEA187L0.96
PXYPARA-XYLENEA225L0.96
BZQDIPHENYLMETHANONEA,B1GT50.71
BZQDIPHENYLMETHANONEA,B1DZP0.71
271N-methyl-1-phenylmethanamineX2RBT0.71
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.75
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.72
2631-(azidomethyl)-3-methylbenzeneX2RB20.77
BPSA,B2DE40.71
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.86
MBNTOLUENEA,B3D7O0.93
MBNTOLUENEA,B1R1X0.93
MBNTOLUENEA,B1JLX0.93
MBNTOLUENEA,B,C,D3D170.93
MBNTOLUENEA,B2VRL0.93
MBNTOLUENEA,I2Z3E0.93
MBNTOLUENEA,B1YZI0.93
MBNTOLUENEA,B2DN10.93
MBNTOLUENEA,B3EN10.93
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
AC01-PHENYLETHANONEA1ZK10.74
AC01-PHENYLETHANONEA1ZK40.74
2HRHEXYLPHOSPHONIC ACID (R)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS10.71
2HSHEXYLPHOSPHONIC ACID (S)-2-METHYL-
3-PHENYLPROPYL ESTER
X1YS20.71
ABNBENZYLAMINED,H2HXC0.73
ABNBENZYLAMINEA,I1A860.73
ABNBENZYLAMINEA1UTN0.73
ABNBENZYLAMINEA1N6X0.73
ABNBENZYLAMINEA2BZA0.73
ABNBENZYLAMINEA2EUS0.73
ABNBENZYLAMINEA1N6Y0.73
ABNBENZYLAMINEA1UTJ0.73
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.79
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.79
N4BN-BUTYLBENZENEA186L0.96
2HT3-methylbenzonitrileA,B3F880.83
NPYNAPHTHALENEA,B1O7G0.82
DPHDEAMINO-METHYL-PHENYLALANINEA1OS00.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJI0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2JJJ0.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B2VS20.71
DPHDEAMINO-METHYL-PHENYLALANINEA,B1OD10.71
DPHDEAMINO-METHYL-PHENYLALANINEE1EPR0.71
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.83
3PL3-PHENYLPROPANALE1Y3G0.77
BNZBENZENEA1L830.77
BNZBENZENEA1CP40.77
BNZBENZENEA,B,C,D1XXJ0.77
BNZBENZENEB1SWI0.77
BNZBENZENEA181L0.77
BNZBENZENEA223L0.77
BNZBENZENEA3DMX0.77
BNZBENZENEA2Z9G0.77
BNZBENZENEA220L0.77
BNZBENZENEA227L0.77
BNZBENZENEA,B1A7Z0.77
BNZBENZENEA1L840.77
DPKDEPRENYLA,B2BYB0.74
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
4FA4-FLUOROPHENETHYL ALCOHOLA1OWZ0.72
PYLPHENYLETHANEC1B070.96
PYLPHENYLETHANEA,B2VRM0.96
PYLPHENYLETHANEA1NHB0.96
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.77
PEL2-PHENYL-ETHANOLA,B1I0D0.75
PEL2-PHENYL-ETHANOLD,H2I0T0.75
PEL2-PHENYL-ETHANOLA,B1HZY0.75
PEL2-PHENYL-ETHANOLA,B1I0B0.75
PEL2-PHENYL-ETHANOLA1EYW0.75
PEL2-PHENYL-ETHANOLA,B1JGM0.75
PMSBENZYLSULFINIC ACIDB1PNM0.74
PMSBENZYLSULFINIC ACIDA,B1SH70.74
PMSBENZYLSULFINIC ACIDB,C1BB00.74
PMSBENZYLSULFINIC ACIDA,B1S2N0.74
PMSBENZYLSULFINIC ACIDA,B1WB80.74
PMSBENZYLSULFINIC ACIDA,B,C3CE40.74
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.74
PMSBENZYLSULFINIC ACIDA3H180.74
PMSBENZYLSULFINIC ACIDA3H170.74
PMSBENZYLSULFINIC ACIDA2CBG0.74
PMSBENZYLSULFINIC ACIDA1SUP0.74
PMSBENZYLSULFINIC ACIDA,B1V6C0.74
PMSBENZYLSULFINIC ACIDA,B1WPR0.74
PMSBENZYLSULFINIC ACIDA,B1EQ90.74
PMSBENZYLSULFINIC ACIDA,B1AUR0.74
PMSBENZYLSULFINIC ACIDA1KLT0.74
PMSBENZYLSULFINIC ACIDB,C1CA80.74
PMSBENZYLSULFINIC ACIDA2GKO0.74
PMSBENZYLSULFINIC ACIDB,C,D1BA80.74
PIHIODOPHENYLA1UO50.73
PIHIODOPHENYLA3DNA0.73
PIHIODOPHENYLA1F9O0.73
PIHIODOPHENYLA,B1UO40.73
PIHIODOPHENYLA3DN40.73
PHGPHENYLMERCURYA1CZS0.77
HY1PHENYLACETALDEHYDED,H2I0S0.76
HY1PHENYLACETALDEHYDEA,B1D6Y0.76
HY1PHENYLACETALDEHYDEA,B1D6Z0.76
HY1PHENYLACETALDEHYDED,H2OK40.76
HY1PHENYLACETALDEHYDEA,B1D6U0.76
TOSP-SULFINOTOLUENEH1ETT0.72
TOSP-SULFINOTOLUENEI4PAD0.72
TOSP-SULFINOTOLUENEA1EST0.72
TOSP-SULFINOTOLUENEC,G2CHA0.72
TOSP-SULFINOTOLUENEE1PPH0.72
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.76
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.76
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.76
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.76
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.76
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.76
PA0Phenylarsine oxideA3E3Z0.75
BP4BIPHENYL-4-YL-ACETALDEHYDEA,B,E,F,G,H1MHW0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.77
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.77