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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00022784

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OXEORTHO-XYLENEA,B3E0X0.75
OXEORTHO-XYLENEA188L0.75
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.7
FBA4-FLUOROBENZYLAMINEA1TNH0.7
I4BISOBUTYLBENZENEA184L0.78
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
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.75
PXYPARA-XYLENEA187L0.77
PXYPARA-XYLENEA225L0.77
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.72
DENINDENEA183L0.72
FPRPROPYLBENZENEC1RHK0.77
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.76
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.73
PRA3-PHENYLPROPYLAMINEA1TNK0.72
PRA3-PHENYLPROPYLAMINEM1UTL0.72
PBN4-PHENYLBUTYLAMINEA1TNI0.72
PBN4-PHENYLBUTYLAMINEA1UTP0.72
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
N4BN-BUTYLBENZENEA186L0.77
BDBA,B1KE30.71
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71
PYLPHENYLETHANEC1B070.77
PYLPHENYLETHANEA,B2VRM0.77
PYLPHENYLETHANEA1NHB0.77
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.75
2HT3-methylbenzonitrileA,B3F880.88