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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03785019

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
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.7
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.75
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.82
OXEORTHO-XYLENEA,B3E0X0.84
OXEORTHO-XYLENEA188L0.84
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.75
2HT3-methylbenzonitrileA,B3F880.89
PYLPHENYLETHANEC1B070.87
PYLPHENYLETHANEA,B2VRM0.87
PYLPHENYLETHANEA1NHB0.87
AN3ANTHRACENEA,B2HMN0.71
AN3ANTHRACENEA,B2HMM0.71
NPYNAPHTHALENEA,B1O7G0.77
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.74
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.74
BDBA,B1KE30.77
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.72
I4BISOBUTYLBENZENEA184L0.84
PRA3-PHENYLPROPYLAMINEA1TNK0.8
PRA3-PHENYLPROPYLAMINEM1UTL0.8
PBN4-PHENYLBUTYLAMINEA1TNI0.8
PBN4-PHENYLBUTYLAMINEA1UTP0.8
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.75
B2FPHENYLALANINE BORONIC ACIDA,P1P060.75
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.75
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.75
HY1PHENYLACETALDEHYDED,H2I0S0.72
HY1PHENYLACETALDEHYDEA,B1D6Y0.72
HY1PHENYLACETALDEHYDEA,B1D6Z0.72
HY1PHENYLACETALDEHYDED,H2OK40.72
HY1PHENYLACETALDEHYDEA,B1D6U0.72
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.71
N4BN-BUTYLBENZENEA186L0.87
PEL2-PHENYL-ETHANOLA,B1I0D0.71
PEL2-PHENYL-ETHANOLD,H2I0T0.71
PEL2-PHENYL-ETHANOLA,B1HZY0.71
PEL2-PHENYL-ETHANOLA,B1I0B0.71
PEL2-PHENYL-ETHANOLA1EYW0.71
PEL2-PHENYL-ETHANOLA,B1JGM0.71
PXYPARA-XYLENEA187L0.84
PXYPARA-XYLENEA225L0.84
MBNTOLUENEA,B3D7O0.84
MBNTOLUENEA,B1R1X0.84
MBNTOLUENEA,B1JLX0.84
MBNTOLUENEA,B,C,D3D170.84
MBNTOLUENEA,B2VRL0.84
MBNTOLUENEA,I2Z3E0.84
MBNTOLUENEA,B1YZI0.84
MBNTOLUENEA,B2DN10.84
MBNTOLUENEA,B3EN10.84
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.78
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.71
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
PEYPHENANTHRENEA,B2HML0.71
PEYPHENANTHRENEA,B2HMK0.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.71
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
DENINDENEA183L0.8
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.75
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.75
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.71
ABNBENZYLAMINED,H2HXC0.74
ABNBENZYLAMINEA,I1A860.74
ABNBENZYLAMINEA1UTN0.74
ABNBENZYLAMINEA1N6X0.74
ABNBENZYLAMINEA2BZA0.74
ABNBENZYLAMINEA2EUS0.74
ABNBENZYLAMINEA1N6Y0.74
ABNBENZYLAMINEA1UTJ0.74
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.72
BNZBENZENEA1L830.72
BNZBENZENEA1CP40.72
BNZBENZENEA,B,C,D1XXJ0.72
BNZBENZENEB1SWI0.72
BNZBENZENEA181L0.72
BNZBENZENEA223L0.72
BNZBENZENEA3DMX0.72
BNZBENZENEA2Z9G0.72
BNZBENZENEA220L0.72
BNZBENZENEA227L0.72
BNZBENZENEA,B1A7Z0.72
BNZBENZENEA1L840.72
PA0Phenylarsine oxideA3E3Z0.7
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.84
FPRPROPYLBENZENEC1RHK0.87
3PL3-PHENYLPROPANALE1Y3G0.73
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.79
PEA2-PHENYLETHYLAMINEA1TNJ0.79
PEA2-PHENYLETHYLAMINED,H2HKM0.79
PEA2-PHENYLETHYLAMINEA1UTO0.79
PEA2-PHENYLETHYLAMINEA,B1D6Y0.79
PEA2-PHENYLETHYLAMINEA,B1D6Z0.79
PEA2-PHENYLETHYLAMINEA,B1D6U0.79
PEA2-PHENYLETHYLAMINEA1UTM0.79
TLD4-methylbenzene-1,2-dithiolA2Z940.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.75
PHGPHENYLMERCURYA1CZS0.72
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
DPKDEPRENYLA,B2BYB0.72