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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00603238

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PYLPHENYLETHANEC1B070.8
PYLPHENYLETHANEA,B2VRM0.8
PYLPHENYLETHANEA1NHB0.8
I4BISOBUTYLBENZENEA184L0.77
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.85
DENINDENEA183L0.74
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.73
PEA2-PHENYLETHYLAMINEA1TNJ0.73
PEA2-PHENYLETHYLAMINED,H2HKM0.73
PEA2-PHENYLETHYLAMINEA1UTO0.73
PEA2-PHENYLETHYLAMINEA,B1D6Y0.73
PEA2-PHENYLETHYLAMINEA,B1D6Z0.73
PEA2-PHENYLETHYLAMINEA,B1D6U0.73
PEA2-PHENYLETHYLAMINEA1UTM0.73
N4BN-BUTYLBENZENEA186L0.8
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.72
OXEORTHO-XYLENEA,B3E0X0.77
OXEORTHO-XYLENEA188L0.77
2631-(azidomethyl)-3-methylbenzeneX2RB20.72
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.71
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.75
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.77
FPRPROPYLBENZENEC1RHK0.8
BNZBENZENEA1L830.7
BNZBENZENEA1CP40.7
BNZBENZENEA,B,C,D1XXJ0.7
BNZBENZENEB1SWI0.7
BNZBENZENEA181L0.7
BNZBENZENEA223L0.7
BNZBENZENEA3DMX0.7
BNZBENZENEA2Z9G0.7
BNZBENZENEA220L0.7
BNZBENZENEA227L0.7
BNZBENZENEA,B1A7Z0.7
BNZBENZENEA1L840.7
MBNTOLUENEA,B3D7O0.79
MBNTOLUENEA,B1R1X0.79
MBNTOLUENEA,B1JLX0.79
MBNTOLUENEA,B,C,D3D170.79
MBNTOLUENEA,B2VRL0.79
MBNTOLUENEA,I2Z3E0.79
MBNTOLUENEA,B1YZI0.79
MBNTOLUENEA,B2DN10.79
MBNTOLUENEA,B3EN10.79
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.72
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.79
PIHIODOPHENYLA1UO50.75
PIHIODOPHENYLA3DNA0.75
PIHIODOPHENYLA1F9O0.75
PIHIODOPHENYLA,B1UO40.75
PIHIODOPHENYLA3DN40.75
ABNBENZYLAMINED,H2HXC0.7
ABNBENZYLAMINEA,I1A860.7
ABNBENZYLAMINEA1UTN0.7
ABNBENZYLAMINEA1N6X0.7
ABNBENZYLAMINEA2BZA0.7
ABNBENZYLAMINEA2EUS0.7
ABNBENZYLAMINEA1N6Y0.7
ABNBENZYLAMINEA1UTJ0.7
PXYPARA-XYLENEA187L0.8
PXYPARA-XYLENEA225L0.8
BDBA,B1KE30.71
PHGPHENYLMERCURYA1CZS0.7
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.7
PRA3-PHENYLPROPYLAMINEA1TNK0.74
PRA3-PHENYLPROPYLAMINEM1UTL0.74
PBN4-PHENYLBUTYLAMINEA1TNI0.74
PBN4-PHENYLBUTYLAMINEA1UTP0.74
NPYNAPHTHALENEA,B1O7G0.71
2HT3-methylbenzonitrileA,B3F880.88