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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03542580

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPRPROPYLBENZENEC1RHK0.85
2HT3-methylbenzonitrileA,B3F880.74
3PL3-PHENYLPROPANALE1Y3G0.71
TLD4-methylbenzene-1,2-dithiolA2Z940.85
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.8
PBCPHENYL BORONIC ACIDA2A320.72
PBCPHENYL BORONIC ACIDA1JU30.72
BDBA,B1KE30.75
NPYNAPHTHALENEA,B1O7G0.75
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.82
PXYPARA-XYLENEA187L0.85
PXYPARA-XYLENEA225L0.85
SEHS-BENZYL PHENYLACETOTHIOHYDROXIMATE-
O-SULFATE
M1W9D0.72
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.74
DENINDENEA183L0.78
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.72
PEA2-PHENYLETHYLAMINEA1TNJ0.72
PEA2-PHENYLETHYLAMINED,H2HKM0.72
PEA2-PHENYLETHYLAMINEA1UTO0.72
PEA2-PHENYLETHYLAMINEA,B1D6Y0.72
PEA2-PHENYLETHYLAMINEA,B1D6Z0.72
PEA2-PHENYLETHYLAMINEA,B1D6U0.72
PEA2-PHENYLETHYLAMINEA1UTM0.72
TOSP-SULFINOTOLUENEH1ETT0.76
TOSP-SULFINOTOLUENEI4PAD0.76
TOSP-SULFINOTOLUENEA1EST0.76
TOSP-SULFINOTOLUENEC,G2CHA0.76
TOSP-SULFINOTOLUENEE1PPH0.76
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.82
PYLPHENYLETHANEC1B070.85
PYLPHENYLETHANEA,B2VRM0.85
PYLPHENYLETHANEA1NHB0.85
MBNTOLUENEA,B3D7O0.88
MBNTOLUENEA,B1R1X0.88
MBNTOLUENEA,B1JLX0.88
MBNTOLUENEA,B,C,D3D170.88
MBNTOLUENEA,B2VRL0.88
MBNTOLUENEA,I2Z3E0.88
MBNTOLUENEA,B1YZI0.88
MBNTOLUENEA,B2DN10.88
MBNTOLUENEA,B3EN10.88
HZH1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-
2-one
A,B3DEA0.77
PHGPHENYLMERCURYA1CZS0.75
PIHIODOPHENYLA1UO50.72
PIHIODOPHENYLA3DNA0.72
PIHIODOPHENYLA1F9O0.72
PIHIODOPHENYLA,B1UO40.72
PIHIODOPHENYLA3DN40.72
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.75
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.9
PMSBENZYLSULFINIC ACIDB1PNM0.86
PMSBENZYLSULFINIC ACIDA,B1SH70.86
PMSBENZYLSULFINIC ACIDB,C1BB00.86
PMSBENZYLSULFINIC ACIDA,B1S2N0.86
PMSBENZYLSULFINIC ACIDA,B1WB80.86
PMSBENZYLSULFINIC ACIDA,B,C3CE40.86
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.86
PMSBENZYLSULFINIC ACIDA3H180.86
PMSBENZYLSULFINIC ACIDA3H170.86
PMSBENZYLSULFINIC ACIDA2CBG0.86
PMSBENZYLSULFINIC ACIDA1SUP0.86
PMSBENZYLSULFINIC ACIDA,B1V6C0.86
PMSBENZYLSULFINIC ACIDA,B1WPR0.86
PMSBENZYLSULFINIC ACIDA,B1EQ90.86
PMSBENZYLSULFINIC ACIDA,B1AUR0.86
PMSBENZYLSULFINIC ACIDA1KLT0.86
PMSBENZYLSULFINIC ACIDB,C1CA80.86
PMSBENZYLSULFINIC ACIDA2GKO0.86
PMSBENZYLSULFINIC ACIDB,C,D1BA80.86
OXEORTHO-XYLENEA,B3E0X0.82
OXEORTHO-XYLENEA188L0.82
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.9
N4BN-BUTYLBENZENEA186L0.85
PA0Phenylarsine oxideA3E3Z0.74
BNZBENZENEA1L830.75
BNZBENZENEA1CP40.75
BNZBENZENEA,B,C,D1XXJ0.75
BNZBENZENEB1SWI0.75
BNZBENZENEA181L0.75
BNZBENZENEA223L0.75
BNZBENZENEA3DMX0.75
BNZBENZENEA2Z9G0.75
BNZBENZENEA220L0.75
BNZBENZENEA227L0.75
BNZBENZENEA,B1A7Z0.75
BNZBENZENEA1L840.75
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
I4BISOBUTYLBENZENEA184L0.82
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
TSUPARA-TOLUENE SULFONATEA,B1WUW0.75
TSUPARA-TOLUENE SULFONATEA1B0D0.75
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
BT6benzenethiolA,B,C,D3HSR0.75
4BT2-{2-[4-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1X0.74
BPSA,B2DE40.7
3BT2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-
ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
A,B1D1Y0.74