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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03308565

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPRPROPYLBENZENEC1RHK0.89
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.77
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.77
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.74
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.8
PBN4-PHENYLBUTYLAMINEA1TNI0.79
PBN4-PHENYLBUTYLAMINEA1UTP0.79
I4BISOBUTYLBENZENEA184L0.86
PRA3-PHENYLPROPYLAMINEA1TNK0.79
PRA3-PHENYLPROPYLAMINEM1UTL0.79
2631-(azidomethyl)-3-methylbenzeneX2RB20.74
OXEORTHO-XYLENEA,B3E0X0.86
OXEORTHO-XYLENEA188L0.86
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.77
MBNTOLUENEA,B3D7O0.85
MBNTOLUENEA,B1R1X0.85
MBNTOLUENEA,B1JLX0.85
MBNTOLUENEA,B,C,D3D170.85
MBNTOLUENEA,B2VRL0.85
MBNTOLUENEA,I2Z3E0.85
MBNTOLUENEA,B1YZI0.85
MBNTOLUENEA,B2DN10.85
MBNTOLUENEA,B3EN10.85
PXYPARA-XYLENEA187L0.85
PXYPARA-XYLENEA225L0.85
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.74
B2FPHENYLALANINE BORONIC ACIDA,P1P060.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.74
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.74
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.83
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.77
PEA2-PHENYLETHYLAMINEA1TNJ0.77
PEA2-PHENYLETHYLAMINED,H2HKM0.77
PEA2-PHENYLETHYLAMINEA1UTO0.77
PEA2-PHENYLETHYLAMINEA,B1D6Y0.77
PEA2-PHENYLETHYLAMINEA,B1D6Z0.77
PEA2-PHENYLETHYLAMINEA,B1D6U0.77
PEA2-PHENYLETHYLAMINEA1UTM0.77
271N-methyl-1-phenylmethanamineX2RBT0.71
TLD4-methylbenzene-1,2-dithiolA2Z940.72
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
ABNBENZYLAMINED,H2HXC0.73
ABNBENZYLAMINEA,I1A860.73
ABNBENZYLAMINEA1UTN0.73
ABNBENZYLAMINEA1N6X0.73
ABNBENZYLAMINEA2BZA0.73
ABNBENZYLAMINEA2EUS0.73
ABNBENZYLAMINEA1N6Y0.73
ABNBENZYLAMINEA1UTJ0.73
PYLPHENYLETHANEC1B070.89
PYLPHENYLETHANEA,B2VRM0.89
PYLPHENYLETHANEA1NHB0.89
BNZBENZENEA1L830.7
BNZBENZENEA1CP40.7
BNZBENZENEA,B,C,D1XXJ0.7
BNZBENZENEB1SWI0.7
BNZBENZENEA181L0.7
BNZBENZENEA223L0.7
BNZBENZENEA3DMX0.7
BNZBENZENEA2Z9G0.7
BNZBENZENEA220L0.7
BNZBENZENEA227L0.7
BNZBENZENEA,B1A7Z0.7
BNZBENZENEA1L840.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.71
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.8
3PL3-PHENYLPROPANALE1Y3G0.72
DPKDEPRENYLA,B2BYB0.74
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.76
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.76
N4BN-BUTYLBENZENEA186L0.89
2HT3-methylbenzonitrileA,B3F880.94
HY1PHENYLACETALDEHYDED,H2I0S0.71
HY1PHENYLACETALDEHYDEA,B1D6Y0.71
HY1PHENYLACETALDEHYDEA,B1D6Z0.71
HY1PHENYLACETALDEHYDED,H2OK40.71
HY1PHENYLACETALDEHYDEA,B1D6U0.71
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.71
BDBA,B1KE30.76
PHGPHENYLMERCURYA1CZS0.7
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.7
NPYNAPHTHALENEA,B1O7G0.76
DENINDENEA183L0.79
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.77
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.77
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.74