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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012408

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
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.76
2HT3-methylbenzonitrileA,B3F880.89
ABNBENZYLAMINED,H2HXC0.71
ABNBENZYLAMINEA,I1A860.71
ABNBENZYLAMINEA1UTN0.71
ABNBENZYLAMINEA1N6X0.71
ABNBENZYLAMINEA2BZA0.71
ABNBENZYLAMINEA2EUS0.71
ABNBENZYLAMINEA1N6Y0.71
ABNBENZYLAMINEA1UTJ0.71
FPRPROPYLBENZENEC1RHK0.78
DENINDENEA183L0.72
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.71
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.7
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
PIHIODOPHENYLA1UO50.77
PIHIODOPHENYLA3DNA0.77
PIHIODOPHENYLA1F9O0.77
PIHIODOPHENYLA,B1UO40.77
PIHIODOPHENYLA3DN40.77
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
PRA3-PHENYLPROPYLAMINEA1TNK0.72
PRA3-PHENYLPROPYLAMINEM1UTL0.72
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.8
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.74
PBN4-PHENYLBUTYLAMINEA1TNI0.72
PBN4-PHENYLBUTYLAMINEA1UTP0.72
PA0Phenylarsine oxideA3E3Z0.7
OXEORTHO-XYLENEA,B3E0X0.76
OXEORTHO-XYLENEA188L0.76
PHGPHENYLMERCURYA1CZS0.72
PYLPHENYLETHANEC1B070.78
PYLPHENYLETHANEA,B2VRM0.78
PYLPHENYLETHANEA1NHB0.78
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.87
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
N4BN-BUTYLBENZENEA186L0.78