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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02260087

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PBN4-PHENYLBUTYLAMINEA1TNI0.81
PBN4-PHENYLBUTYLAMINEA1UTP0.81
FPRPROPYLBENZENEC1RHK0.75
PRA3-PHENYLPROPYLAMINEA1TNK0.81
PRA3-PHENYLPROPYLAMINEM1UTL0.81
4NM4-NITROPHENYL METHANETHIOLA,B2VO40.72
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.76
OXEORTHO-XYLENEA,B3E0X0.73
OXEORTHO-XYLENEA188L0.73
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.74
PXYPARA-XYLENEA187L0.72
PXYPARA-XYLENEA225L0.72
MBNTOLUENEA,B3D7O0.72
MBNTOLUENEA,B1R1X0.72
MBNTOLUENEA,B1JLX0.72
MBNTOLUENEA,B,C,D3D170.72
MBNTOLUENEA,B2VRL0.72
MBNTOLUENEA,I2Z3E0.72
MBNTOLUENEA,B1YZI0.72
MBNTOLUENEA,B2DN10.72
MBNTOLUENEA,B3EN10.72
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.75
FBA4-FLUOROBENZYLAMINEA1TNH0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.84
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.84
B2FPHENYLALANINE BORONIC ACIDA,P1P060.84
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.84
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.84
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.74
DPKDEPRENYLA,B2BYB0.76
ZYX4-(2-AMINOETHYL)BENZENESULFONAMIDEA2NNG0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.71
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.71
BNFN-BENZYLFORMAMIDEA,B1U3U0.7
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.7
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.79
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.79
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.74
23N(2R)-2-benzyl-3-nitropropanoic acidA2RFH0.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.77
I4BISOBUTYLBENZENEA184L0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.76
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.76
IPOPARA-IODO-D-PHENYLALANINE HYDROXAMIC ACIDA1IGB0.71
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.77
FRD1-PHENYL-2-AMINOPROPANEA,C2AOI0.79
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOF0.79
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOJ0.79
FRD1-PHENYL-2-AMINOPROPANEA,B,C2AOH0.79
PYLPHENYLETHANEC1B070.75
PYLPHENYLETHANEA,B2VRM0.75
PYLPHENYLETHANEA1NHB0.75
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.82
PEA2-PHENYLETHYLAMINEA1TNJ0.82
PEA2-PHENYLETHYLAMINED,H2HKM0.82
PEA2-PHENYLETHYLAMINEA1UTO0.82
PEA2-PHENYLETHYLAMINEA,B1D6Y0.82
PEA2-PHENYLETHYLAMINEA,B1D6Z0.82
PEA2-PHENYLETHYLAMINEA,B1D6U0.82
PEA2-PHENYLETHYLAMINEA1UTM0.82
N4BN-BUTYLBENZENEA186L0.75
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.76
PNZP-NITRO-BENZYLAMINEA,B2C700.76
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.76
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.76
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2OUA0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B,C,D2AJC0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B3PRO0.72
2AB4-(2-AMINOETHYL)BENZENESULFONIC ACIDA,B2PFE0.72
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.75
DP4TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE-
N-OXIDE
A,B,C,D,E,F,
G,H
1ND00.7
271N-methyl-1-phenylmethanamineX2RBT0.73
PMI(2-AMINO-2,3-DIHYDRO-1H-INDEN-2-
YL)PHOSPHONIC ACID
A,B,C,D,E,F,
G,H
2O7E0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.77
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidA1OS00.77
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidE,I4TMN0.77
PPH[(1R)-1-amino-2-phenylethyl]phosphonic acidS1CGH0.77
BZZBENZYLHYDRAZINEA,B2E2V0.71
PHMPHENYLALANYLMETHANEA,I1PJP0.7
PHMPHENYLALANYLMETHANEA,B,C2J9J0.7
PHMPHENYLALANYLMETHANEA,B,C2JE40.7
ABNBENZYLAMINED,H2HXC0.78
ABNBENZYLAMINEA,I1A860.78
ABNBENZYLAMINEA1UTN0.78
ABNBENZYLAMINEA1N6X0.78
ABNBENZYLAMINEA2BZA0.78
ABNBENZYLAMINEA2EUS0.78
ABNBENZYLAMINEA1N6Y0.78
ABNBENZYLAMINEA1UTJ0.78
BDBA,B1KE30.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.83
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.83
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3B2Q0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4T0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEO,P,Q,R2B4R0.73
AES4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDEA,B3EIU0.73
3NT3-NITROTOLUENEA,B2BMR0.76
3NT3-NITROTOLUENEA,B2HMO0.76