| Alkaloids | Binding energies (kcal/mol) | Hydrogen bond interactions | Hydrophobic interactions |
| Redocked WR99210 | −8.40 | Ile14, Cys15, Asp54, Phe116, Leu164 | Ala16, Leu46, Met55, Phe58, Ile112, Pro113, Leu119 | Biscryptolepine | −12.1 | | Leu40, Val45, Leu46, Ser111, Ile112, Pro113 | Cryptomisrine | −12.9 | Asn108 | Leu40, Val45, Leu46, Met55, Ser111, Ile112, Pro113, Phe116 | Cryptolepicarboline | −11.9 | Asn108 | Ala16, Leu46, Ile112 | Cryptoquindoline | −12.6 | | Ala16, Val45, Leu46, Ser101, Ile102, Pro103 | Cryptospirolepine | −6.00 | | Val45, Cys50, Met55, Lys115, Pro113 | Cryptolepinone | −9.10 | Asn108 | Ala16, Leu40, Leu46 | 11-isopropylcryptolepine | −8.60 | Asn108 | Ala16, Leu40, Leu46, Ile112 | Cryptoheptine | −9.20 | Asn108 | Leu40, Leu46 | Cryptolepine | −8.90 | Asn108 | Ala16, Leu40, Leu46, | Hydroxycryptolepine | −8.90 | Asn108 | Ala16, Leu40, Leu46 | Isocryptolepine | −8.60 | Asn108, Ser111 | Leu40, Leu46, Ser111 | Neocryptolepine | −8.70 | Asn108 | Ala16, Leu40, Leu46 |
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