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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02218121

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DENINDENEA183L0.73
PYLPHENYLETHANEC1B070.8
PYLPHENYLETHANEA,B2VRM0.8
PYLPHENYLETHANEA1NHB0.8
F5B1,2,3,4,5-pentafluorobenzeneA3DN00.83
HFBhexafluorobenzeneA3DMZ0.71
I4BISOBUTYLBENZENEA184L0.77
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.73
N4BN-BUTYLBENZENEA186L0.8
PBCPHENYL BORONIC ACIDA2A320.93
PBCPHENYL BORONIC ACIDA1JU30.93
2HT3-methylbenzonitrileA,B3F880.7
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.7
OXEORTHO-XYLENEA,B3E0X0.77
OXEORTHO-XYLENEA188L0.77
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.77
FPRPROPYLBENZENEC1RHK0.8
PA0Phenylarsine oxideA3E3Z0.98
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.8
BT6benzenethiolA,B,C,D3HSR0.86
TCZ1,3,5-TRICHLORO-BENZENEA,B,C,D1J510.76
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.74
BNSHYDROSULFONYLBENZENE11YYY0.78
BNSHYDROSULFONYLBENZENEA1MEM0.78
BNSHYDROSULFONYLBENZENEA,D,E1FH00.78
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.78
BNZBENZENEA1L831
BNZBENZENEA1CP41
BNZBENZENEA,B,C,D1XXJ1
BNZBENZENEB1SWI1
BNZBENZENEA181L1
BNZBENZENEA223L1
BNZBENZENEA3DMX1
BNZBENZENEA2Z9G1
BNZBENZENEA220L1
BNZBENZENEA227L1
BNZBENZENEA,B1A7Z1
BNZBENZENEA1L841
118TETRAPHENYLANTIMONIUM IONA1EXI0.77
YAN1,2-DICHLOROBENZENEX2OTY0.77
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.73
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.73
PHGPHENYLMERCURYA1CZS1
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.72
PXYPARA-XYLENEA187L0.8
PXYPARA-XYLENEA225L0.8
PIHIODOPHENYLA1UO50.93
PIHIODOPHENYLA3DNA0.93
PIHIODOPHENYLA1F9O0.93
PIHIODOPHENYLA,B1UO40.93
PIHIODOPHENYLA3DN40.93
TTATETRAPHENYL-ARSONIUMA1HYV0.77
MBNTOLUENEA,B3D7O0.83
MBNTOLUENEA,B1R1X0.83
MBNTOLUENEA,B1JLX0.83
MBNTOLUENEA,B,C,D3D170.83
MBNTOLUENEA,B2VRL0.83
MBNTOLUENEA,I2Z3E0.83
MBNTOLUENEA,B1YZI0.83
MBNTOLUENEA,B2DN10.83
MBNTOLUENEA,B3EN10.83
P4PTETRAPHENYLPHOSPHONIUMA,M1EXJ0.73
P4PTETRAPHENYLPHOSPHONIUMA,C3B620.73
P4PTETRAPHENYLPHOSPHONIUMA,B1R8E0.73
P4PTETRAPHENYLPHOSPHONIUMA2BOW0.73
P4PTETRAPHENYLPHOSPHONIUMA3B5D0.73