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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02493397

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.84
FIB1,2,3,4,5-pentafluoro-6-iodobenzeneA3DN80.71
PA0Phenylarsine oxideA3E3Z0.94
PMBPARA-MERCURY-BENZENESULFONIC ACIDB1BH90.71
PMBPARA-MERCURY-BENZENESULFONIC ACIDH1HDK0.71
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1HJ10.71
PMBPARA-MERCURY-BENZENESULFONIC ACIDA,B,C,D1YP20.71
PMBPARA-MERCURY-BENZENESULFONIC ACIDA1XZC0.71
I4BISOBUTYLBENZENEA184L0.72
FPRPROPYLBENZENEC1RHK0.74
BNSHYDROSULFONYLBENZENE11YYY0.76
BNSHYDROSULFONYLBENZENEA1MEM0.76
BNSHYDROSULFONYLBENZENEA,D,E1FH00.76
BNSHYDROSULFONYLBENZENEA,B,C,D1PQ90.76
MBNTOLUENEA,B3D7O0.77
MBNTOLUENEA,B1R1X0.77
MBNTOLUENEA,B1JLX0.77
MBNTOLUENEA,B,C,D3D170.77
MBNTOLUENEA,B2VRL0.77
MBNTOLUENEA,I2Z3E0.77
MBNTOLUENEA,B1YZI0.77
MBNTOLUENEA,B2DN10.77
MBNTOLUENEA,B3EN10.77
IBF1,2,3,4,5-pentafluoro-6-iodobenzeneA3DN30.71
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.77
OXEORTHO-XYLENEA,B3E0X0.72
OXEORTHO-XYLENEA188L0.72
BT6benzenethiolA,B,C,D3HSR0.8
PXYPARA-XYLENEA187L0.74
PXYPARA-XYLENEA225L0.74
PIHIODOPHENYLA1UO50.98
PIHIODOPHENYLA3DNA0.98
PIHIODOPHENYLA1F9O0.98
PIHIODOPHENYLA,B1UO40.98
PIHIODOPHENYLA3DN40.98
N4BN-BUTYLBENZENEA186L0.74
PYLPHENYLETHANEC1B070.74
PYLPHENYLETHANEA,B2VRM0.74
PYLPHENYLETHANEA1NHB0.74
BNZBENZENEA1L830.91
BNZBENZENEA1CP40.91
BNZBENZENEA,B,C,D1XXJ0.91
BNZBENZENEB1SWI0.91
BNZBENZENEA181L0.91
BNZBENZENEA223L0.91
BNZBENZENEA3DMX0.91
BNZBENZENEA2Z9G0.91
BNZBENZENEA220L0.91
BNZBENZENEA227L0.91
BNZBENZENEA,B1A7Z0.91
BNZBENZENEA1L840.91
TCZ1,3,5-TRICHLORO-BENZENEA,B,C,D1J510.71
118TETRAPHENYLANTIMONIUM IONA1EXI0.72
PHGPHENYLMERCURYA1CZS0.91
YAN1,2-DICHLOROBENZENEX2OTY0.72
PBCPHENYL BORONIC ACIDA2A320.9
PBCPHENYL BORONIC ACIDA1JU30.9
F5B1,2,3,4,5-pentafluorobenzeneA3DN00.77
TTATETRAPHENYL-ARSONIUMA1HYV0.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.75