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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03541786

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PXYPARA-XYLENEA187L0.78
PXYPARA-XYLENEA225L0.78
2HT3-methylbenzonitrileA,B3F880.89
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
BDBA,B1KE30.72
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.72
FPRPROPYLBENZENEC1RHK0.78
DENINDENEA183L0.72
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.71
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.7
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.78
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.71
MBNTOLUENEA,B3D7O0.81
MBNTOLUENEA,B1R1X0.81
MBNTOLUENEA,B1JLX0.81
MBNTOLUENEA,B,C,D3D170.81
MBNTOLUENEA,B2VRL0.81
MBNTOLUENEA,I2Z3E0.81
MBNTOLUENEA,B1YZI0.81
MBNTOLUENEA,B2DN10.81
MBNTOLUENEA,B3EN10.81
PBCPHENYL BORONIC ACIDA2A320.71
PBCPHENYL BORONIC ACIDA1JU30.71
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.71
I4BISOBUTYLBENZENEA184L0.76
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
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
PRA3-PHENYLPROPYLAMINEA1TNK0.72
PRA3-PHENYLPROPYLAMINEM1UTL0.72
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.74
PBN4-PHENYLBUTYLAMINEA1TNI0.72
PBN4-PHENYLBUTYLAMINEA1UTP0.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.78
OXEORTHO-XYLENEA,B3E0X0.76
OXEORTHO-XYLENEA188L0.76
PHGPHENYLMERCURYA1CZS0.72
PYLPHENYLETHANEC1B070.78
PYLPHENYLETHANEA,B2VRM0.78
PYLPHENYLETHANEA1NHB0.78
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.71
PEA2-PHENYLETHYLAMINEA1TNJ0.71
PEA2-PHENYLETHYLAMINED,H2HKM0.71
PEA2-PHENYLETHYLAMINEA1UTO0.71
PEA2-PHENYLETHYLAMINEA,B1D6Y0.71
PEA2-PHENYLETHYLAMINEA,B1D6Z0.71
PEA2-PHENYLETHYLAMINEA,B1D6U0.71
PEA2-PHENYLETHYLAMINEA1UTM0.71
PA0Phenylarsine oxideA3E3Z0.73
N4BN-BUTYLBENZENEA186L0.78