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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02877725

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2631-(azidomethyl)-3-methylbenzeneX2RB20.75
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
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
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.75
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.77
OXEORTHO-XYLENEA,B3E0X0.86
OXEORTHO-XYLENEA188L0.86
TLD4-methylbenzene-1,2-dithiolA2Z940.7
2HT3-methylbenzonitrileA,B3F880.91
FPRPROPYLBENZENEC1RHK0.86
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.8
I4BISOBUTYLBENZENEA184L0.89
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.75
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.75
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.75
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.75
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.74
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.76
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.76
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.75
PEYPHENANTHRENEA,B2HML0.72
PEYPHENANTHRENEA,B2HMK0.72
BDBA,B1KE30.79
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.75
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.78
PYLPHENYLETHANEC1B070.86
PYLPHENYLETHANEA,B2VRM0.86
PYLPHENYLETHANEA1NHB0.86
1LPTRANYLCYPROMINEA,B1OJB0.74
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.74
N4BN-BUTYLBENZENEA186L0.86
DPKDEPRENYLA,B2BYB0.72
PXYPARA-XYLENEA187L0.83
PXYPARA-XYLENEA225L0.83
MBNTOLUENEA,B3D7O0.83
MBNTOLUENEA,B1R1X0.83
MBNTOLUENEA,B1JLX0.83
MBNTOLUENEA,B,C,D3D170.83
MBNTOLUENEA,B2VRL0.83
MBNTOLUENEA,I2Z3E0.83
MBNTOLUENEA,B1YZI0.83
MBNTOLUENEA,B2DN10.83
MBNTOLUENEA,B3EN10.83
NPYNAPHTHALENEA,B1O7G0.76
AN3ANTHRACENEA,B2HMN0.72
AN3ANTHRACENEA,B2HMM0.72
DENINDENEA183L0.79