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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03495154

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
1GUL0.74
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
N4BN-BUTYLBENZENEA186L0.82
1LPTRANYLCYPROMINEA,B1OJB0.71
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
NPYNAPHTHALENEA,B1O7G0.73
PYLPHENYLETHANEC1B070.82
PYLPHENYLETHANEA,B2VRM0.82
PYLPHENYLETHANEA1NHB0.82
BDBA,B1KE30.75
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.72
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
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
I4BISOBUTYLBENZENEA184L0.85
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.73
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.73
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.75
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.77
FPRPROPYLBENZENEC1RHK0.82
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.73
PXYPARA-XYLENEA187L0.79
PXYPARA-XYLENEA225L0.79
MBNTOLUENEA,B3D7O0.79
MBNTOLUENEA,B1R1X0.79
MBNTOLUENEA,B1JLX0.79
MBNTOLUENEA,B,C,D3D170.79
MBNTOLUENEA,B2VRL0.79
MBNTOLUENEA,I2Z3E0.79
MBNTOLUENEA,B1YZI0.79
MBNTOLUENEA,B2DN10.79
MBNTOLUENEA,B3EN10.79
OXEORTHO-XYLENEA,B3E0X0.82
OXEORTHO-XYLENEA188L0.82
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.73
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
DENINDENEA183L0.76
PRA3-PHENYLPROPYLAMINEA1TNK0.73
PRA3-PHENYLPROPYLAMINEM1UTL0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.73
PBN4-PHENYLBUTYLAMINEA1UTP0.73
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.76
2HT3-methylbenzonitrileA,B3F880.87
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.72
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.72