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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023448

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FPRPROPYLBENZENEC1RHK0.85
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.74
PBN4-PHENYLBUTYLAMINEA1TNI0.76
PBN4-PHENYLBUTYLAMINEA1UTP0.76
PRA3-PHENYLPROPYLAMINEA1TNK0.76
PRA3-PHENYLPROPYLAMINEM1UTL0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.72
B2FPHENYLALANINE BORONIC ACIDA,P1P060.72
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.72
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.72
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
NPYNAPHTHALENEA,B1O7G0.73
I4BISOBUTYLBENZENEA184L0.86
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.75
PEA2-PHENYLETHYLAMINEA1TNJ0.75
PEA2-PHENYLETHYLAMINED,H2HKM0.75
PEA2-PHENYLETHYLAMINEA1UTO0.75
PEA2-PHENYLETHYLAMINEA,B1D6Y0.75
PEA2-PHENYLETHYLAMINEA,B1D6Z0.75
PEA2-PHENYLETHYLAMINEA,B1D6U0.75
PEA2-PHENYLETHYLAMINEA1UTM0.75
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.77
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.74
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
DPKDEPRENYLA,B2BYB0.71
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.8
2631-(azidomethyl)-3-methylbenzeneX2RB20.77
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.71
PYLPHENYLETHANEC1B070.85
PYLPHENYLETHANEA,B2VRM0.85
PYLPHENYLETHANEA1NHB0.85
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.76
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.76
OXEORTHO-XYLENEA,B3E0X0.83
OXEORTHO-XYLENEA188L0.83
N4BN-BUTYLBENZENEA186L0.85
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.74
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.74
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.77
PEYPHENANTHRENEA,B2HML0.72
PEYPHENANTHRENEA,B2HMK0.72
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.78
DENINDENEA183L0.76
ABNBENZYLAMINED,H2HXC0.7
ABNBENZYLAMINEA,I1A860.7
ABNBENZYLAMINEA1UTN0.7
ABNBENZYLAMINEA1N6X0.7
ABNBENZYLAMINEA2BZA0.7
ABNBENZYLAMINEA2EUS0.7
ABNBENZYLAMINEA1N6Y0.7
ABNBENZYLAMINEA1UTJ0.7
2HT3-methylbenzonitrileA,B3F880.94
BDBA,B1KE30.76
PXYPARA-XYLENEA187L0.83
PXYPARA-XYLENEA225L0.83
MBNTOLUENEA,B3D7O0.82
MBNTOLUENEA,B1R1X0.82
MBNTOLUENEA,B1JLX0.82
MBNTOLUENEA,B,C,D3D170.82
MBNTOLUENEA,B2VRL0.82
MBNTOLUENEA,I2Z3E0.82
MBNTOLUENEA,B1YZI0.82
MBNTOLUENEA,B2DN10.82
MBNTOLUENEA,B3EN10.82
AN3ANTHRACENEA,B2HMN0.72
AN3ANTHRACENEA,B2HMM0.72