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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03207128

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRY2-PROPYL-ANILINEA1OWY0.7
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.76
HY1PHENYLACETALDEHYDED,H2I0S0.73
HY1PHENYLACETALDEHYDEA,B1D6Y0.73
HY1PHENYLACETALDEHYDEA,B1D6Z0.73
HY1PHENYLACETALDEHYDED,H2OK40.73
HY1PHENYLACETALDEHYDEA,B1D6U0.73
PBN4-PHENYLBUTYLAMINEA1TNI0.81
PBN4-PHENYLBUTYLAMINEA1UTP0.81
PRA3-PHENYLPROPYLAMINEA1TNK0.81
PRA3-PHENYLPROPYLAMINEM1UTL0.81
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.74
1LPTRANYLCYPROMINEA,B1OJB0.71
787(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACIDA1O4R0.72
OXEORTHO-XYLENEA,B3E0X0.89
OXEORTHO-XYLENEA188L0.89
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.83
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.78
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.78
TLD4-methylbenzene-1,2-dithiolA2Z940.74
PMSBENZYLSULFINIC ACIDB1PNM0.71
PMSBENZYLSULFINIC ACIDA,B1SH70.71
PMSBENZYLSULFINIC ACIDB,C1BB00.71
PMSBENZYLSULFINIC ACIDA,B1S2N0.71
PMSBENZYLSULFINIC ACIDA,B1WB80.71
PMSBENZYLSULFINIC ACIDA,B,C3CE40.71
PMSBENZYLSULFINIC ACIDA,B1Y9Z0.71
PMSBENZYLSULFINIC ACIDA3H180.71
PMSBENZYLSULFINIC ACIDA3H170.71
PMSBENZYLSULFINIC ACIDA2CBG0.71
PMSBENZYLSULFINIC ACIDA1SUP0.71
PMSBENZYLSULFINIC ACIDA,B1V6C0.71
PMSBENZYLSULFINIC ACIDA,B1WPR0.71
PMSBENZYLSULFINIC ACIDA,B1EQ90.71
PMSBENZYLSULFINIC ACIDA,B1AUR0.71
PMSBENZYLSULFINIC ACIDA1KLT0.71
PMSBENZYLSULFINIC ACIDB,C1CA80.71
PMSBENZYLSULFINIC ACIDA2GKO0.71
PMSBENZYLSULFINIC ACIDB,C,D1BA80.71
FPRPROPYLBENZENEC1RHK0.92
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.72
FBA4-FLUOROBENZYLAMINEA1TNH0.72
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.73
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.73
DPKDEPRENYLA,B2BYB0.76
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.79
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.79
BDBA,B1KE30.78
L18(2S)-1-methyl-2-[(2S,4R)-2-methyl-
4-phenylpentyl]piperidine
A2JJG0.71
I4BISOBUTYLBENZENEA184L0.89
NPYNAPHTHALENEA,B1O7G0.78
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.82
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA2AI70.71
SB7[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOLA,B,C2AI80.71
AC01-PHENYLETHANONEA1ZK10.71
AC01-PHENYLETHANONEA1ZK40.71
PA0Phenylarsine oxideA3E3Z0.72
N4BN-BUTYLBENZENEA186L0.92
ABNBENZYLAMINED,H2HXC0.75
ABNBENZYLAMINEA,I1A860.75
ABNBENZYLAMINEA1UTN0.75
ABNBENZYLAMINEA1N6X0.75
ABNBENZYLAMINEA2BZA0.75
ABNBENZYLAMINEA2EUS0.75
ABNBENZYLAMINEA1N6Y0.75
ABNBENZYLAMINEA1UTJ0.75
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
MBNTOLUENEA,B3D7O0.88
MBNTOLUENEA,B1R1X0.88
MBNTOLUENEA,B1JLX0.88
MBNTOLUENEA,B,C,D3D170.88
MBNTOLUENEA,B2VRL0.88
MBNTOLUENEA,I2Z3E0.88
MBNTOLUENEA,B1YZI0.88
MBNTOLUENEA,B2DN10.88
MBNTOLUENEA,B3EN10.88
PXYPARA-XYLENEA187L0.88
PXYPARA-XYLENEA225L0.88
DENINDENEA183L0.82
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.76
B2FPHENYLALANINE BORONIC ACIDA,P1P060.76
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.76
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.76
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.8
PEA2-PHENYLETHYLAMINEA1TNJ0.8
PEA2-PHENYLETHYLAMINED,H2HKM0.8
PEA2-PHENYLETHYLAMINEA1UTO0.8
PEA2-PHENYLETHYLAMINEA,B1D6Y0.8
PEA2-PHENYLETHYLAMINEA,B1D6Z0.8
PEA2-PHENYLETHYLAMINEA,B1D6U0.8
PEA2-PHENYLETHYLAMINEA1UTM0.8
PHGPHENYLMERCURYA1CZS0.73
PYLPHENYLETHANEC1B070.92
PYLPHENYLETHANEA,B2VRM0.92
PYLPHENYLETHANEA1NHB0.92
2HT3-methylbenzonitrileA,B3F880.9
BNZBENZENEA1L830.73
BNZBENZENEA1CP40.73
BNZBENZENEA,B,C,D1XXJ0.73
BNZBENZENEB1SWI0.73
BNZBENZENEA181L0.73
BNZBENZENEA223L0.73
BNZBENZENEA3DMX0.73
BNZBENZENEA2Z9G0.73
BNZBENZENEA220L0.73
BNZBENZENEA227L0.73
BNZBENZENEA,B1A7Z0.73
BNZBENZENEA1L840.73
PEYPHENANTHRENEA,B2HML0.72
PEYPHENANTHRENEA,B2HMK0.72
TPATRANS-2-PHENYLCYCLOPROPYLAMINEA1TNL0.72
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.73
2631-(azidomethyl)-3-methylbenzeneX2RB20.76
PEL2-PHENYL-ETHANOLA,B1I0D0.72
PEL2-PHENYL-ETHANOLD,H2I0T0.72
PEL2-PHENYL-ETHANOLA,B1HZY0.72
PEL2-PHENYL-ETHANOLA,B1I0B0.72
PEL2-PHENYL-ETHANOLA1EYW0.72
PEL2-PHENYL-ETHANOLA,B1JGM0.72
271N-methyl-1-phenylmethanamineX2RBT0.72
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.72
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.79
B2Y1-biphenyl-2-ylmethanamineA,B,C,D3CCB0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1DPM0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6B0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1PSC0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B3E3H0.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1QW70.71
EBPDIETHYL 4-METHYLBENZYLPHOSPHONATEA,B1P6C0.71
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.76
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.85
3PL3-PHENYLPROPANALE1Y3G0.74
AN3ANTHRACENEA,B2HMN0.72
AN3ANTHRACENEA,B2HMM0.72