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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02371612

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PYLPHENYLETHANEC1B070.8
PYLPHENYLETHANEA,B2VRM0.8
PYLPHENYLETHANEA1NHB0.8
DENINDENEA183L0.74
I4BISOBUTYLBENZENEA184L0.78
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.7
B2FPHENYLALANINE BORONIC ACIDA,P1P060.7
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.7
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.7
2HT3-methylbenzonitrileA,B3F880.85
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.75
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.7
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.7
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.73
PEA2-PHENYLETHYLAMINEA1TNJ0.73
PEA2-PHENYLETHYLAMINED,H2HKM0.73
PEA2-PHENYLETHYLAMINEA1UTO0.73
PEA2-PHENYLETHYLAMINEA,B1D6Y0.73
PEA2-PHENYLETHYLAMINEA,B1D6Z0.73
PEA2-PHENYLETHYLAMINEA,B1D6U0.73
PEA2-PHENYLETHYLAMINEA1UTM0.73
N4BN-BUTYLBENZENEA186L0.8
2631-(azidomethyl)-3-methylbenzeneX2RB20.7
OXEORTHO-XYLENEA,B3E0X0.78
OXEORTHO-XYLENEA188L0.78
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.72
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.7
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.81
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.75
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.7
FPRPROPYLBENZENEC1RHK0.8
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.78
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.7
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.7
PXYPARA-XYLENEA187L0.8
PXYPARA-XYLENEA225L0.8
MBNTOLUENEA,B3D7O0.8
MBNTOLUENEA,B1R1X0.8
MBNTOLUENEA,B1JLX0.8
MBNTOLUENEA,B,C,D3D170.8
MBNTOLUENEA,B2VRL0.8
MBNTOLUENEA,I2Z3E0.8
MBNTOLUENEA,B1YZI0.8
MBNTOLUENEA,B2DN10.8
MBNTOLUENEA,B3EN10.8
BDBA,B1KE30.71
PRA3-PHENYLPROPYLAMINEA1TNK0.74
PRA3-PHENYLPROPYLAMINEM1UTL0.74
PBN4-PHENYLBUTYLAMINEA1TNI0.74
PBN4-PHENYLBUTYLAMINEA1UTP0.74
NPYNAPHTHALENEA,B1O7G0.71