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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02498104

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2HT3-methylbenzonitrileA,B3F880.92
NPYNAPHTHALENEA,B1O7G0.74
TLD4-methylbenzene-1,2-dithiolA2Z940.73
BDBA,B1KE30.74
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.72
PBAPHENYLETHANE BORONIC ACIDC,G6CHA0.81
MFG(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN-
1-IMINE
A,B2VZ20.73
OXEORTHO-XYLENEA,B3E0X0.84
OXEORTHO-XYLENEA188L0.84
PYLPHENYLETHANEC1B070.87
PYLPHENYLETHANEA,B2VRM0.87
PYLPHENYLETHANEA1NHB0.87
2631-(azidomethyl)-3-methylbenzeneX2RB20.78
NFP3-AMINO-5-PHENYLPENTANEA1MEM0.74
NFP3-AMINO-5-PHENYLPENTANEA,D,E1FH00.74
IBZ2-IODOBENZYLTHIO GROUPA,B1CEL0.72
I4BISOBUTYLBENZENEA184L0.84
DENINDENEA183L0.78
271N-methyl-1-phenylmethanamineX2RBT0.71
1PB1,4-DIPHENYL-2-BUTENEA,B1OJ90.79
2602-(bromomethyl)-1,3-difluorobenzeneX2RB00.71
PTF[(METHYLSULFANYL)METHYL]BENZENEC,F1RHQ0.78
N4BN-BUTYLBENZENEA186L0.87
TRJMETA-DI(AMINOMETHYL)BENZENEA,I1GVV0.74
TRJMETA-DI(AMINOMETHYL)BENZENEA1FQ50.74
B2FPHENYLALANINE BORONIC ACIDA,P1GBM0.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBD0.73
B2FPHENYLALANINE BORONIC ACIDA,P1P060.73
B2FPHENYLALANINE BORONIC ACIDA,P1GBI0.73
B2FPHENYLALANINE BORONIC ACIDA,P8LPR0.73
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
FBA4-FLUOROBENZYLAMINEB,D,E1AFQ0.71
FBA4-FLUOROBENZYLAMINEA1TNH0.71
2671-(azidomethyl)-3-methylbenzeneA2RBQ0.78
PO01-BENZYL-(R)-PROPYLAMINEA,I1LZQ0.75
PO01-BENZYL-(R)-PROPYLAMINEB,I1M0B0.75
3PL3-PHENYLPROPANALE1Y3G0.7
MBNTOLUENEA,B3D7O0.87
MBNTOLUENEA,B1R1X0.87
MBNTOLUENEA,B1JLX0.87
MBNTOLUENEA,B,C,D3D170.87
MBNTOLUENEA,B2VRL0.87
MBNTOLUENEA,I2Z3E0.87
MBNTOLUENEA,B1YZI0.87
MBNTOLUENEA,B2DN10.87
MBNTOLUENEA,B3EN10.87
PXYPARA-XYLENEA187L0.87
PXYPARA-XYLENEA225L0.87
0071-METHYLAMINE-1-BENZYL-CYCLOPENTANEA,B,C,D2BUA0.7
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
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-PHENYLPROPYLAMINEA1TNK0.77
PRA3-PHENYLPROPYLAMINEM1UTL0.77
PBN4-PHENYLBUTYLAMINEA1TNI0.77
PBN4-PHENYLBUTYLAMINEA1UTP0.77
PA0Phenylarsine oxideA3E3Z0.7
FPRPROPYLBENZENEC1RHK0.87
PHGPHENYLMERCURYA1CZS0.72
PEA2-PHENYLETHYLAMINEA,B,E,F,G,H1MHW0.76
PEA2-PHENYLETHYLAMINEA1TNJ0.76
PEA2-PHENYLETHYLAMINED,H2HKM0.76
PEA2-PHENYLETHYLAMINEA1UTO0.76
PEA2-PHENYLETHYLAMINEA,B1D6Y0.76
PEA2-PHENYLETHYLAMINEA,B1D6Z0.76
PEA2-PHENYLETHYLAMINEA,B1D6U0.76
PEA2-PHENYLETHYLAMINEA1UTM0.76
2IB2-IODOBENZYL GROUPI,J,K,L,M,N,
O,P
1GUL0.81
DPKDEPRENYLA,B2BYB0.72