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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00432412

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.76
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.71
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.74
PEA2-PHENYLETHYLAMINEA1TNJ0.74
PEA2-PHENYLETHYLAMINED,H2HKM0.74
PEA2-PHENYLETHYLAMINEA1UTO0.74
PEA2-PHENYLETHYLAMINEA,B1D6Y0.74
PEA2-PHENYLETHYLAMINEA,B1D6Z0.74
PEA2-PHENYLETHYLAMINEA,B1D6U0.74
PEA2-PHENYLETHYLAMINEA1UTM0.74
OXEORTHO-XYLENEA,B3E0X0.74
OXEORTHO-XYLENEA188L0.74
4FP4-(4-FLUOROBENZYL)PIPERIDINEA2OHN0.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.71
2BFALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACIDA,B,C,D1ND50.7
MBNTOLUENEA,B3D7O0.75
MBNTOLUENEA,B1R1X0.75
MBNTOLUENEA,B1JLX0.75
MBNTOLUENEA,B,C,D3D170.75
MBNTOLUENEA,B2VRL0.75
MBNTOLUENEA,I2Z3E0.75
MBNTOLUENEA,B1YZI0.75
MBNTOLUENEA,B2DN10.75
MBNTOLUENEA,B3EN10.75
1PC1-(PHENYL-1-CYCLOHEXYL)PIPERIDINEB,C2PCP0.7
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
PYLPHENYLETHANEC1B070.76
PYLPHENYLETHANEA,B2VRM0.76
PYLPHENYLETHANEA1NHB0.76
I4BISOBUTYLBENZENEA184L0.74
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.7
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.7
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.75
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.75
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.73
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.73
N4BN-BUTYLBENZENEA186L0.76
DPKDEPRENYLA,B2BYB0.79
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.71
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.71
PXYPARA-XYLENEA187L0.76
PXYPARA-XYLENEA225L0.76
271N-methyl-1-phenylmethanamineX2RBT0.74
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.73
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.71
B2FPHENYLALANINE BORONIC ACIDA,P1P060.71
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.71
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.74
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.79
PRA3-PHENYLPROPYLAMINEA1TNK0.75
PRA3-PHENYLPROPYLAMINEM1UTL0.75
PBN4-PHENYLBUTYLAMINEA1TNI0.75
PBN4-PHENYLBUTYLAMINEA1UTP0.75
2631-(azidomethyl)-3-methylbenzeneX2RB20.76
FPRPROPYLBENZENEC1RHK0.76
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.77
ABNBENZYLAMINED,H2HXC0.72
ABNBENZYLAMINEA,I1A860.72
ABNBENZYLAMINEA1UTN0.72
ABNBENZYLAMINEA1N6X0.72
ABNBENZYLAMINEA2BZA0.72
ABNBENZYLAMINEA2EUS0.72
ABNBENZYLAMINEA1N6Y0.72
ABNBENZYLAMINEA1UTJ0.72
2HT3-methylbenzonitrileA,B3F880.71
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2P1C0.73
GG3{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-
1,1-DIYL}BIS(PHOSPHONIC ACID)
A,B2Z7H0.73
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.71