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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02308923

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPRPROPYLBENZENEC1RHK0.89
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.72
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.72
3PL3-PHENYLPROPANALE1Y3G0.71
TSUPARA-TOLUENE SULFONATEA,B1WUW0.71
TSUPARA-TOLUENE SULFONATEA1B0D0.71
I4BISOBUTYLBENZENEA184L0.86
PHGPHENYLMERCURYA1CZS0.8
OXEORTHO-XYLENEA,B3E0X0.86
OXEORTHO-XYLENEA188L0.86
BNZBENZENEA1L830.8
BNZBENZENEA1CP40.8
BNZBENZENEA,B,C,D1XXJ0.8
BNZBENZENEB1SWI0.8
BNZBENZENEA181L0.8
BNZBENZENEA223L0.8
BNZBENZENEA3DMX0.8
BNZBENZENEA2Z9G0.8
BNZBENZENEA220L0.8
BNZBENZENEA227L0.8
BNZBENZENEA,B1A7Z0.8
BNZBENZENEA1L840.8
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.81
PBCPHENYL BORONIC ACIDA2A320.75
PBCPHENYL BORONIC ACIDA1JU30.75
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.83
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL1
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
PXYPARA-XYLENEA187L0.89
PXYPARA-XYLENEA225L0.89
HY1PHENYLACETALDEHYDED,H2I0S0.7
HY1PHENYLACETALDEHYDEA,B1D6Y0.7
HY1PHENYLACETALDEHYDEA,B1D6Z0.7
HY1PHENYLACETALDEHYDED,H2OK40.7
HY1PHENYLACETALDEHYDEA,B1D6U0.7
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.75
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
TLD4-methylbenzene-1,2-dithiolA2Z940.77
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
IOB3-IODO-BENZYL ALCOHOLA,B1QK00.72
PYLPHENYLETHANEC1B070.89
PYLPHENYLETHANEA,B2VRM0.89
PYLPHENYLETHANEA1NHB0.89
BT6benzenethiolA,B,C,D3HSR0.7
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.8
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.71
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.71
PA0Phenylarsine oxideA3E3Z0.78
2HT3-methylbenzonitrileA,B3F880.8
N4BN-BUTYLBENZENEA186L0.89
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
PIHIODOPHENYLA1UO50.85
PIHIODOPHENYLA3DNA0.85
PIHIODOPHENYLA1F9O0.85
PIHIODOPHENYLA,B1UO40.85
PIHIODOPHENYLA3DN40.85
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
TOSP-SULFINOTOLUENEH1ETT0.72
TOSP-SULFINOTOLUENEI4PAD0.72
TOSP-SULFINOTOLUENEA1EST0.72
TOSP-SULFINOTOLUENEC,G2CHA0.72
TOSP-SULFINOTOLUENEE1PPH0.72
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.71
BDBA,B1KE30.76
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.78
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.88
NPYNAPHTHALENEA,B1O7G0.76
PRA3-PHENYLPROPYLAMINEA1TNK0.74
PRA3-PHENYLPROPYLAMINEM1UTL0.74
PBN4-PHENYLBUTYLAMINEA1TNI0.74
PBN4-PHENYLBUTYLAMINEA1UTP0.74
DENINDENEA183L0.79
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72